N[C@H]1CCN(c2nc3c(C4CC4)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000000005470 EC Annotated Anodyne O=C(O)CCNC(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000000006041 EC Annotated Anodyne O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cnnc4)cc3n2n1 ZINC000000008839 EC Annotated Anodyne in-vivo O=C(O)Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)O)cn12 ZINC000000009221 EC Annotated Anodyne OCC(CO)OCn1cc(Br)c2c(NO)ncnc21 ZINC000000011953 EC Annotated Anodyne O=C(O)Cc1cn2c3c([nH]c(=O)c2n1)-c1cccc(CC(=O)O)c1C3 ZINC000000022476 EC Annotated Anodyne CCC[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000000082531 EC Annotated Anodyne COc1nc(Oc2ccc(C(=O)OCC(N)=O)cc2)nc(N(C)C)n1 ZINC000000107364 EC Annotated Anodyne NC(=O)CCC1S(=O)(=O)CC(c2ccccc2)CS1(=O)=O ZINC000000124616 EC Annotated Anodyne COC(=O)[C@@H]1CCCN1CP(=O)(O)CN1CCC[C@H]1C(=O)OC ZINC000000186016 EC Annotated Anodyne CN1CCN(c2cc3c(cc2N)c(=O)c(C(=O)O)c2n3CCC2)CC1 ZINC000000201764 EC Annotated Anodyne COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000000212348 EC Annotated Anodyne O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCOCC1 ZINC000000212834 EC Annotated Anodyne CCN(CC)S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000000218046 EC Annotated Anodyne COc1ccc(C2=NN(CC(=O)NCCN(C)C)C(=O)CC2)cc1 ZINC000000220969 EC Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@H]3CO)ccc2[nH]c1=O ZINC000000233195 EC Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@@H]3CO)ccc2[nH]c1=O ZINC000000233204 EC Annotated Anodyne NC(=O)C1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1 ZINC000000252416 EC Annotated Anodyne Cc1ccccc1-n1c(=O)cc(N2CCC(C(N)=O)CC2)[nH]c1=O ZINC000000252646 EC Annotated Anodyne CN(C)C(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000000262337 EC Annotated Anodyne NC(=O)Cn1c(=O)n(-c2cc(F)ccc2F)c(=O)c2sccc21 ZINC000000426819 EC Annotated Anodyne NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cc(Cl)ccc21 ZINC000000427320 EC Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000000428627 EC Annotated Anodyne COC(=O)c1cc(NS(=O)(=O)c2c[nH]cn2)cc(C(=O)OC)c1 ZINC000000429612 EC Annotated Anodyne COC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21 ZINC000001069092 EC Annotated Anodyne CN(C)/C=C1\SC(=S)N(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)C1=O ZINC000001383245 EC Annotated Clean CCS(=O)(=O)c1c(S(=O)(=O)CC)c2ccccn2c1C(N)=O ZINC000001444125 EC Annotated Anodyne CCOC(=O)/C=C1\O[C@]2(O)C[C@@H]([C@H]3CO[C@@H]2O3)[C@@H]1C(=O)OCC ZINC000001444581 EC Annotated Anodyne CN1C=CCC(C(=O)Nc2ccn([C@@H]3CC[C@H](CO)O3)c(=O)n2)=C1 ZINC000100049339 EC Annotated Anodyne CN1C=CCC(C(=O)Nc2ccn([C@H]3CC[C@H](CO)O3)c(=O)n2)=C1 ZINC000100049341 EC Annotated Anodyne CN1C=CCC(C(=O)Nc2ccn([C@@H]3CC[C@@H](CO)O3)c(=O)n2)=C1 ZINC000100049344 EC Annotated Anodyne CN1C=CCC(C(=O)Nc2ccn([C@H]3CC[C@@H](CO)O3)c(=O)n2)=C1 ZINC000100049346 EC Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000100051620 EC Annotated Anodyne in-man endogenous N#C[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3C[C@@](O)(C1)C[C@@](O)(C3)C2 ZINC000100054890 EC Annotated Mild in-man N#C[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3C[C@](O)(C1)C[C@](O)(C3)C2 ZINC000100054893 EC Annotated Mild in-man O=C(OC12CC3C[C@H](C1)C(O)[C@H](C3)C2)C(F)(F)S(=O)(=O)O ZINC000100078536 EC Annotated Anodyne in-vitro O=C(OC12CC3C[C@@H](C1)C(O)[C@@H](C3)C2)C(F)(F)S(=O)(=O)O ZINC000100078541 EC Annotated Anodyne in-vitro COc1cc(O)c([C@@H](C=O)[C@H](O)C=O)c2oc(=O)c3c(c12)COC3=O ZINC000100080789 EC Annotated Mild in-vitro NC(=O)[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1 ZINC000100081635 EC Annotated Anodyne NC(=O)[C@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1 ZINC000100081638 EC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(C)=O)[C@@H](C(=O)OC)[C@@H]1CO ZINC000100142206 EC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)N(C(C)=O)[C@@H]21 ZINC000100142208 EC Annotated Anodyne C=C1C[C@@]23C[C@H]4[C@H]5[C@]67CC(=O)C[C@@]5(C)CN4[C@H]6[C@H]2[C@@H](O)[C@H]1[C@@H](O)[C@@H]37 ZINC000100268039 EC Annotated Mild C=C1C[C@@]23C[C@H]4[C@@H]5[C@]67CC(=O)C[C@@]5(C)CN4[C@H]6[C@H]2[C@@H](O)[C@H]1[C@@H](O)[C@@H]37 ZINC000100268041 EC Annotated Mild C=C1C[C@@]23C[C@H]4[C@H]5[C@]67CC(=O)C[C@@]5(C)CN4[C@H]6[C@H]2[C@@H](O)[C@H]1[C@@H](O)[C@H]37 ZINC000100268045 EC Annotated Mild C=C1C[C@@]23C[C@H]4[C@@H]5[C@]67CC(=O)C[C@@]5(C)CN4[C@H]6[C@H]2[C@@H](O)[C@H]1[C@@H](O)[C@H]37 ZINC000100268050 EC Annotated Mild O=C(/C=c1\[nH]/c(=C/c2ccc(F)cc2)c(=O)[nH]c1=O)c1ccccc1 ZINC000100296671 EC Annotated Anodyne COc1cccc2c1[C@]1(C)CO[C@H]3[C@@H]4C[C@H](C(=O)O)[C@H](N4)[C@H](C2)N31 ZINC000100303941 EC Annotated Anodyne in-vitro COc1cccc2c1[C@]1(C)CO[C@@H]3[C@@H]4C[C@H](C(=O)O)[C@H](N4)[C@H](C2)N31 ZINC000100303944 EC Annotated Anodyne in-vitro Cc1cc(NC(=O)[C@@H]2C(=O)c3ccccc3S(=O)(=O)N2C)no1 ZINC000100381319 EC Annotated Anodyne Cc1cc(NC(=O)[C@H]2C(=O)c3ccccc3S(=O)(=O)N2C)no1 ZINC000100381322 EC Annotated Anodyne N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3C[C@@](O)(C1)C[C@@](O)(C3)C2 ZINC000100382397 EC Annotated Mild N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3C[C@](O)(C1)C[C@](O)(C3)C2 ZINC000100382404 EC Annotated Mild COc1ccc2c(c1)=C/C(=C1/N=C(c3ccc(F)cc3)ON1)C(=O)N=2 ZINC000100435462 EC Annotated Anodyne N=C(N)c1ccc(NNC2=C3N=c4ccccc4=C3C=CC2=O)cc1 ZINC000100566892 EC Annotated Mild CC1(C)O[C@H]2[C@H]3[C@H](CO[C@@]2(COS(N)(=O)=O)O1)C3(Cl)Cl ZINC000100773737 EC Annotated Anodyne C=C1[C@H](O)[C@]23C[C@H]1CC[C@@H]2[C@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778929 EC Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@H]1CC[C@@H]2[C@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778931 EC Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@H]1CC[C@@H]2[C@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778935 EC Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@H]1CC[C@@H]2[C@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778936 EC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100781415 EC Annotated Mild in-man endogenous CCN1C(=N)[C@H]2C(=O)N(CC)C(=S)N3CCCN(C1=S)[C@@H]23 ZINC000100792712 EC Annotated Anodyne CCN1C(=N)[C@@H]2C(=O)N(CC)C(=S)N3CCCN(C1=S)[C@@H]23 ZINC000100792714 EC Annotated Anodyne CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1N[C@H]31 ZINC000100803722 EC Annotated Mild CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1N[C@@H]31 ZINC000100803724 EC Annotated Mild CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1[C@@H]3N1C ZINC000100804295 EC Annotated Mild CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1[C@H]3N1C ZINC000100804298 EC Annotated Mild CC1=C(N2C[C@@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1N[C@H]31 ZINC000100805652 EC Annotated Mild NC1=N/C(=C\CCNC(=O)c2cc(Br)c[nH]2)C(=O)N1 ZINC000100823791 EC Annotated Anodyne CCCC1=C(N2CC2)C(=O)C([C@@H](COC(N)=O)OC)=C(N2CC2)C1=O ZINC000100837269 EC Annotated Mild CCCC1=C(N2CC2)C(=O)C([C@H](COC(N)=O)OC)=C(N2CC2)C1=O ZINC000100837270 EC Annotated Mild [O-][n+]1c(Cl)c(I)cc2nc(O)c(O)nc21 ZINC000100846310 EC Annotated Anodyne Cc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000100848317 EC Annotated Anodyne Cc1nnc(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 ZINC000100848319 EC Annotated Anodyne Cc1cn2c(O)c3c(nc2n1)N(COCCO)[C@H](Br)N3 ZINC000100874947 EC Annotated Reactive Cc1cn2c(O)c3c(nc2n1)N(COCCO)[C@@H](Br)N3 ZINC000100874954 EC Annotated Reactive CC(C)(C)c1cn2c(O)c3c(nc2n1)N(COC(CO)CO)CN3 ZINC000100875986 EC Annotated Anodyne COc1cc(O)c([C@@H](CO)[C@@H](O)C=O)c2oc(=O)c3c(c12)CCC3=O ZINC000100897457 EC Annotated Mild in-vitro COc1cc(O)c([C@H](CO)[C@@H](O)C=O)c2oc(=O)c3c(c12)CCC3=O ZINC000100897458 EC Annotated Mild in-vitro C=C1C[C@]23C[C@@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@H]6[C@H]2[C@@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000100899191 EC Annotated Mild in-vitro C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@H]6[C@@H]2[C@@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000100899194 EC Annotated Mild in-vitro C=C1C[C@]23C[C@@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@H]6[C@@H]2[C@@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000100899196 EC Annotated Mild in-vitro CC(C)Cn1[nH]cc/c1=N\C(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000100936043 EC Annotated Anodyne CC(C)Cn1[nH]cc/c1=N\C(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000100936045 EC Annotated Anodyne O=C(OC[C@H](O)[C@H]1OC(O)=C(O)C1=O)c1cc(O)c2ccccc2n1 ZINC000100939301 EC Annotated Mild O=C(OC[C@@H](O)[C@H]1OC(O)=C(O)C1=O)c1cc(O)c2ccccc2n1 ZINC000100939303 EC Annotated Mild O=C(OC[C@H](O)[C@@H]1OC(O)=C(O)C1=O)c1cc(O)c2ccccc2n1 ZINC000100939306 EC Annotated Mild O=C(OC[C@@H](O)[C@@H]1OC(O)=C(O)C1=O)c1cc(O)c2ccccc2n1 ZINC000100939310 EC Annotated Mild CCCn1[nH]cc/c1=N\C(=O)CN1CCn2c(nnc2C2CC2)C1 ZINC000100975539 EC Annotated Anodyne CO[C@@H]1[C@H](OCc2ccccc2)[C@@H]2CO[C@H](O2)[C@@H]1OS(=O)(=O)O ZINC000100995643 EC Annotated Anodyne CO[C@H]1[C@H](OCc2ccccc2)[C@@H]2CO[C@H](O2)[C@@H]1OS(=O)(=O)O ZINC000100995649 EC Annotated Anodyne CO[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2CO[C@H](O2)[C@@H]1OS(=O)(=O)O ZINC000100995656 EC Annotated Anodyne CO[C@H]1[C@@H](OCc2ccccc2)[C@@H]2CO[C@H](O2)[C@@H]1OS(=O)(=O)O ZINC000100995662 EC Annotated Anodyne C=C(C)N[C@@H](C(CC)CC)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1N=C(N)N ZINC000100998423 EC Annotated Mild C=C(C)N[C@H](C(CC)CC)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1N=C(N)N ZINC000100998426 EC Annotated Mild N#CC1=C(N)[C@@H]2Cc3cc(O)c([C@@H]4COCCO4)cc3O[C@@H]2C=C1N ZINC000101001527 EC Annotated Reactive N#CC1=C(N)[C@@H]2Cc3cc(O)c([C@H]4COCCO4)cc3O[C@@H]2C=C1N ZINC000101001529 EC Annotated Reactive N#CC1=C(N)[C@@H]2Cc3cc(O)c([C@@H]4COCCO4)cc3O[C@H]2C=C1N ZINC000101001531 EC Annotated Reactive N#CC1=C(N)[C@@H]2Cc3cc(O)c([C@H]4COCCO4)cc3O[C@H]2C=C1N ZINC000101001532 EC Annotated Reactive CN(C)CCn1cc2c(c1)/C(=N\OCCO)c1ccncc1C2=O ZINC000101098905 EC Annotated Mild Cc1ccc2c(c1)[n+]([O-])c(NCCNCn1ccc(C#N)c1)n[n+]2[O-] ZINC000101099762 EC Annotated Mild CCOc1ccc2c(c1)[n+]([O-])c(NCCCN1CCOCC1)n[n+]2[O-] ZINC000101101417 EC Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(NCCCn1ccc(C#N)c1)n[n+]2[O-] ZINC000101101455 EC Annotated Mild CCc1ccc2c(c1)[n+]([O-])c(NCCCN1CCOCC1)n[n+]2[O-] ZINC000101101920 EC Annotated Anodyne CC(C)(C)c1ccc2c(c1)[n+]([O-])c(NCCN1CCOCC1)n[n+]2[O-] ZINC000101103096 EC Annotated Anodyne CCOc1ccc2c(c1)[n+]([O-])c(NCCN1CCCCC1)n[n+]2[O-] ZINC000101104346 EC Annotated Anodyne CCOC(=O)Cn1c(SC)nc2nc3ccccc3[n+]([O-])c2c1=O ZINC000101160707 EC Annotated Bother CCO[C@H](COC(N)=O)C1=C(N2CC2)C(=O)C(CC)=C(N2CC2)C1=O ZINC000101262147 EC Annotated Mild CCO[C@@H](COC(N)=O)C1=C(N2CC2)C(=O)C(CC)=C(N2CC2)C1=O ZINC000101262153 EC Annotated Mild CCCCn1nc(-c2ccc(C)o2)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2 ZINC000101274701 EC Annotated Anodyne COCCOCCOc1ccc(CC2C(=O)NC(=O)NC2=O)cc1 ZINC000101282099 EC Annotated Anodyne CCN(CC)CCNc1c(C#N)[n+]([O-])c2cc(OC)ccc2[n+]1[O-] ZINC000101322209 EC Annotated Mild COc1ccccc1OC[C@H]1N(C(=O)C[S@@](C)=O)CC[S@@]1=O ZINC000101328753 EC Annotated Anodyne O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1C[C@@]34C[C@@H](N2)SC4=C[C@H]1O ZINC000101329991 EC Annotated Mild O=C1c2c([n+]([O-])c3ccccc3[n+]2[O-])CCN1CCN1CCCCC1 ZINC000101344471 EC Annotated Anodyne NC(=O)Cn1cc(C(=O)/N=c2/sccn2Cc2ccccc2)nn1 ZINC000101345830 EC Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@](O)([C@@H](O)[C@@H]4C(C)(C)C=C[C@@H]5O)[C@]3(C2)[C@@H]1O ZINC000101383791 EC Annotated Mild CN(C)CCn1ccc2c1C(=O)c1cnccc1/C2=N/OCCO ZINC000101418849 EC Annotated Mild CC(C)c1ccc2c(c1)[n+]([O-])c(NCCN1CCOCC1)n[n+]2[O-] ZINC000101425971 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H]4[C@H](N)[C@H]4C3)c(F)c2)C(=O)O1 ZINC000101502826 EC Annotated Anodyne NCCCNCCCNCCCNC1=CC(=O)c2ccccc2C1=O ZINC000101615236 EC Annotated Mild CO[C@@H]1[C@]2(O)COC3=C(O)C(=O)C=C[C@]31c1cc(O)c(O)cc1C2 ZINC000101621863 EC Annotated Mild COc1ccc2c(c1O)[C@]13CCN[C@@H](C2)[C@@H]1[C@H](OC)[C@@H](O)[C@@H](O)C3 ZINC000101644863 EC Annotated Anodyne COc1ccc2c(c1O)[C@]13CCN[C@@H](C2)[C@H]1[C@H](OC)[C@@H](O)[C@@H](O)C3 ZINC000101644866 EC Annotated Anodyne COc1ccc2c(c1O)[C@]13CCN[C@@H](C2)[C@@H]1[C@@H](OC)[C@@H](O)[C@@H](O)C3 ZINC000101644869 EC Annotated Anodyne COc1ccc2c(c1O)[C@]13CCN[C@@H](C2)[C@H]1[C@@H](OC)[C@@H](O)[C@@H](O)C3 ZINC000101644871 EC Annotated Anodyne CO[C@H]1[C@]2(O)COC3=C(O)C(=O)C=C[C@]31c1cc(O)c(O)cc1C2 ZINC000101682683 EC Annotated Mild N#Cc1c(Cn2cncn2)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=N ZINC000101688571 EC Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC[C@@]13CO[C@@]4(C)[C@@H](OC(=O)[C@H]14)[C@H](O)[C@H]23 ZINC000101707283 EC Annotated Mild COc1cccc(N/N=C2\C(=O)Nn3c2nc2c(c3=O)CCC2)c1 ZINC000101707791 EC Annotated Mild Cn1c(N)c(C(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c(=O)n(C)c1=O ZINC000101919530 EC Annotated Anodyne Cn1c(N)c(C(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c(=O)n(C)c1=O ZINC000101919534 EC Annotated Anodyne [O-][n+]1nc(NCCCN2CCOCC2)[n+]([O-])c2ccc3c(c21)CCC3 ZINC000101965052 EC Annotated Anodyne [O-][n+]1nc(NCCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)CCC3 ZINC000101965682 EC Annotated Anodyne [O-][n+]1nc(NCCN2CCCCC2)[n+]([O-])c2cc3c(cc21)CCC3 ZINC000101966153 EC Annotated Anodyne [O-][n+]1nc(NCCN2CCCCC2)[n+]([O-])c2ccc3c(c21)CCC3 ZINC000102062744 EC Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)N2C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000102194017 EC Annotated Bother CN1CCN(C[C@@H]2N=c3cccc4c3=C(c3ccccc3-4)[N+]2=O)CC1 ZINC000102239551 EC Annotated Anodyne CCCCNC1=CC(=O)c2c(cnc3c2c(=O)n(C)c(=O)n3C)C1=O ZINC000102253738 EC Annotated Mild O=C(O)[C@@H]1[C@@H]2O[C@@H]([C@H]1C(=O)O)[C@@H](Br)[C@H]2Br ZINC000102386689 EC Annotated Reactive CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1ccc(S(N)(=O)=O)cc1 ZINC000102494640 EC Annotated Clean CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1ccc(S(N)(=O)=O)cc1 ZINC000102494645 EC Annotated Clean CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N\CCCOC)CC1 ZINC000102738401 EC Annotated Anodyne CN(C)C(=O)NCc1cc2n(n1)CCCN(C[C@@H]1[C@H]3CNC[C@H]31)C2 ZINC000102741997 EC Annotated Anodyne O=[N+]([O-])c1ccc(O/N=[N+](/[O-])N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000102785612 EC Annotated Clean Cc1ccc2c(c1)[n+]([O-])c(/C=N/NC(=O)c1ccncc1)c(C)[n+]2[O-] ZINC000102845001 EC Annotated Reactive Cc1c(/C=N/NC(=O)c2ccncc2)[n+]([O-])c2cc(F)ccc2[n+]1[O-] ZINC000102845264 EC Annotated Reactive O=C1[C@H]2CCCC[C@H]2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O ZINC000102938957 EC Annotated Anodyne O=C1[C@@H]2CCCC[C@H]2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O ZINC000102938960 EC Annotated Anodyne O=C1C(Cl)=C(NCCOCCO)C(=O)c2c(O)ccc(O)c21 ZINC000102959962 EC Annotated Mild Cc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)o1 ZINC000102971626 EC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccoc2)[nH]c1=O ZINC000102974575 EC Annotated Anodyne CCCCON1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C1 ZINC000102980316 EC Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000102989809 EC Annotated Anodyne O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(CCO)CC1 ZINC000103014665 EC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1/[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O ZINC000103048492 EC Annotated Anodyne CCCCCCCC/N=C1/SC[C@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 ZINC000103090495 EC Annotated Mild CCCCCCCC/N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 ZINC000103090498 EC Annotated Mild O=C(O)CNc1c(N2CCC(CCC3CCNCC3)CC2)c(=O)c1=O ZINC000103130290 EC Annotated Anodyne C=C1C[C@]23C[C@@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@@H]2[C@@H](O)[C@H]1[C@@H](O)[C@H]73 ZINC000103134164 EC Annotated Mild O=C(NCc1ccc(O)cc1O)[C@@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138352 EC Annotated Clean O=C(NCc1ccc(O)cc1O)[C@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138353 EC Annotated Clean O=C(NCc1ccc(O)c(O)c1)[C@@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138360 EC Annotated Clean O=C(NCc1ccc(O)c(O)c1)[C@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138363 EC Annotated Clean CN(C)CCNc1nc2sc3ccccc3n2c(=O)c1C(N)=O ZINC000103167183 EC Annotated Anodyne CC(=O)C/C(C)=N/[C@@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 ZINC000103174494 EC Annotated Reactive CC(=O)C/C(C)=N/[C@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 ZINC000103174496 EC Annotated Reactive CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCCCC[C@]21C)[C@H]3O ZINC000103176573 EC Annotated Anodyne N[C@@H](CO)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000103177518 EC Annotated Anodyne CC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2OCCO)c1 ZINC000103189049 EC Annotated Anodyne CC1(C)CC(NC(=O)C(=N/OCc2ccccc2)/C(N)=N/O)=NO1 ZINC000103194727 EC Annotated Mild Cc1cc(C)c2c(n1)nn1c(N)c(C(=O)Nc3nncs3)nnc21 ZINC000103197300 EC Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000103202019 EC Annotated Anodyne O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccco1 ZINC000103225688 EC Annotated Reactive COc1ccc(C(=O)N/N=C/C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000103238311 EC Annotated Reactive COc1ccc(C(=O)N/N=C(\C)C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000103238317 EC Annotated Reactive COC(=O)N/N=C(\c1ccc(O)cc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000103238443 EC Annotated Reactive CCOC(=O)Cc1nnc2n(c1=O)CCN2c1ccccc1OC ZINC000103247539 EC Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NCCO)c3ncccc32)c1C ZINC000103248983 EC Annotated Anodyne C=CC(=O)Nc1cc(N)nc(Sc2c(OC)nc(N)nc2OC)n1 ZINC000103254897 EC Annotated Anodyne CCOC(=O)c1nnn(-c2ccc(F)cc2)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256602 EC Annotated Anodyne CCOC(=O)c1nnn(-c2ccc(C)cc2)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256628 EC Annotated Anodyne COc1ccc(NC2=N[C@H]3NN=C(N)[C@@H]3C3=C2CN(C)CC3)cc1 ZINC000103265071 EC Annotated Anodyne COc1ccc(NC2=N[C@@H]3NN=C(N)[C@@H]3C3=C2CN(C)CC3)cc1 ZINC000103265073 EC Annotated Anodyne C[C@@H]1CC(=O)[C@@H](O)[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000103266298 EC Annotated Mild O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O)NO ZINC000103266785 EC Annotated Bother Cc1cc(C)c(C2C(=O)N3CCS(=O)(=O)CCN3C2=O)c(C)c1 ZINC000103272832 EC Annotated Clean CC1=CC2=NC(=O)/C(=C\NNC(=O)c3ccc(O)cc3)C(=O)N2C=C1 ZINC000103278690 EC Annotated Reactive O=C1C2=C(SCCS2)C(=O)N1C[C@@H](O)CN1CCCCC1 ZINC000103281044 EC Annotated Anodyne O=C1C2=C(SCCS2)C(=O)N1C[C@H](O)CN1CCCCC1 ZINC000103281046 EC Annotated Anodyne C=C1C[C@](Cn2nc(C)c(=O)[nH]c2=O)(c2ccc(F)cc2)OC1=O ZINC000103282161 EC Annotated Mild C=C1C[C@@](Cn2nc(C)c(=O)[nH]c2=O)(c2ccc(F)cc2)OC1=O ZINC000103282163 EC Annotated Mild Cc1cnn2c(=O)[nH]c(SCc3[nH]c(=O)[nH]c(=O)c3Cl)nc12 ZINC000103288847 EC Annotated Anodyne Cc1cc2nc(SCc3[nH]c(=O)[nH]c(=O)c3Cl)[nH]c(=O)n2n1 ZINC000103288886 EC Annotated Anodyne Cn1cc(C(=O)NC2(C#N)CCCCC2)c(OS(C)(=O)=O)n1 ZINC000103289404 EC Annotated Mild CCC[C@](C#N)(CC)NC(=O)c1cn(C)nc1OS(C)(=O)=O ZINC000103290603 EC Annotated Mild CCC[C@@](C#N)(CC)NC(=O)c1cn(C)nc1OS(C)(=O)=O ZINC000103290606 EC Annotated Mild C[C@@H](C(=O)O)[C@H]1Cc2c(cc3c(c2O)CN([C@H](C)C(=O)O)C3=O)O1 ZINC000103291165 EC Annotated Clean C[n+]1cn(CCCC(=O)O)c2nc(NCCCC(=O)O)nc(O)c21 ZINC000103292799 EC Annotated Anodyne CCN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(Cl)c(Cl)n4[C@@H]3C[C@]21O ZINC000103301506 EC Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(-c5ccccc5)n4[C@@H]3C[C@]21O ZINC000103301521 EC Annotated Anodyne C[C@H]1CC(=O)O[C@@H](C)[C@@H](O)/C=C/C(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O1 ZINC000103395402 EC Annotated Anodyne CCCCCCCC/N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 ZINC000103532131 EC Annotated Mild Cc1ccnc(NC(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)c1 ZINC000103535163 EC Annotated Anodyne Cc1nnc(NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000103557858 EC Annotated Anodyne O=C(NN/C=C1/C=CC(=O)C(O)=C1)NN/C=C1/C=CC(=O)C(O)=C1 ZINC000103655831 EC Annotated Reactive Cc1nc2nc(C)c(NS(=O)(=O)c3cccs3)c(=O)n2[nH]1 ZINC000103695853 EC Annotated Anodyne Cc1ccc2nc3c(=O)n(CC(=O)N4CCN(C)CC4)[nH]cc-3c2c1 ZINC000103710526 EC Annotated Anodyne CCN1CCN(C(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)CC1 ZINC000103711230 EC Annotated Anodyne CC1=C(C)C(=O)/C(=C2/C=C(C(=O)N[C@@H]3CCS(=O)(=O)C3)NN2)C=C1 ZINC000103764258 EC Annotated Mild CC1=C(C)C(=O)/C(=C2/C=C(C(=O)N[C@H]3CCS(=O)(=O)C3)NN2)C=C1 ZINC000103764265 EC Annotated Mild Nc1nonc1C(=O)NN/C=C1\C=C(Br)C=CC1=O ZINC000103813385 EC Annotated Reactive CCC1=C/C(=C2/C=C(C(=O)N[C@@H]3CCS(=O)(=O)C3)NN2)C(=O)C=C1 ZINC000103917489 EC Annotated Mild CCC1=C/C(=C2/C=C(C(=O)N[C@H]3CCS(=O)(=O)C3)NN2)C(=O)C=C1 ZINC000103917493 EC Annotated Mild CN(C)CCC/N=c1\c2ccccc2n(C)c2[nH]c(=O)n(C)c(=O)c12 ZINC000103939903 EC Annotated Bother CC1=NC(=O)NC(=O)/C1=C/NNC(=O)CCNC(=O)OC(C)(C)C ZINC000103981102 EC Annotated Reactive CC1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000103981137 EC Annotated Reactive O=C1C=CC=C/C1=C1\C[C@@H](C(=O)N2CCC3(CC2)OCCO3)ON1 ZINC000104013850 EC Annotated Mild O=C1C=CC=C/C1=C1\C[C@H](C(=O)N2CCC3(CC2)OCCO3)ON1 ZINC000104013855 EC Annotated Mild COC1=C/C(=C2/C(C#N)=C(N)Nc3[nH]c(=S)[nH]c(=O)c32)C=CC1=O ZINC000104016074 EC Annotated Reactive O=C1C=CC(=C2NN=C(SCCC(=O)N3CCOCC3)O2)C=C1 ZINC000104020058 EC Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@@]32C=C[C@@H](O)[C@]1(C)C(=O)O2 ZINC000104367776 EC Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@@]32C=C[C@H](O)[C@]1(C)C(=O)O2 ZINC000104367783 EC Annotated Mild in-man C=C1C[C@]23C[C@@H]1C[C@H](O)[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371524 EC Annotated Mild in-man C=C1C[C@]23C[C@@H]1C[C@H](O)[C@H]2[C@@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371527 EC Annotated Mild in-man O=C(O)[C@H]1[C@H]2O[C@@H]([C@@H](Br)[C@@H]2Br)[C@@H]1C(=O)O ZINC000105001584 EC Annotated Reactive O=C(O)[C@@H]1[C@H]2O[C@H]([C@@H]1C(=O)O)[C@@H](Br)[C@@H]2Br ZINC000105001587 EC Annotated Reactive CCOC(=O)N1C[C@H](C)N(C[C@@H](O)CN2CCOCC2)C[C@H]1C ZINC000105078198 EC Annotated Anodyne C=C1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@]4(CO4)[C@@H]1C)[C@@H]23 ZINC000105211804 EC Annotated Mild CC1=C(N2C[C@@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1N[C@@H]31 ZINC000105399256 EC Annotated Mild CC1=C(N2C[C@@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1N[C@@H]31 ZINC000105399259 EC Annotated Mild OCCN1CCN2C=C([C@@H]3CCC[C@@H]4N(CCO)CCN34)CC[C@H]21 ZINC000105499627 EC Annotated Anodyne CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)[C@@H]2CC(C)=C(C)C[C@H]2[C@@H]1O ZINC000105504998 EC Annotated Clean CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2[C@@H]1O ZINC000105505001 EC Annotated Clean CCS(=O)(=O)N1CC(=O)N(Cc2ccccc2OC)C[C@@H](O)C1 ZINC000105846460 EC Annotated Anodyne CCS(=O)(=O)N1CC(=O)N(Cc2ccccc2OC)C[C@H](O)C1 ZINC000105846464 EC Annotated Anodyne CC(C)CN1C[C@H](O)CN(S(=O)(=O)c2ccccc2)CC1=O ZINC000105846770 EC Annotated Anodyne CC(C)CN1C[C@@H](O)CN(S(=O)(=O)c2ccccc2)CC1=O ZINC000105846773 EC Annotated Anodyne CC(C)CN1C[C@H](O)CN(S(=O)(=O)c2ccc(F)cc2)CC1=O ZINC000105846918 EC Annotated Anodyne CC(C)CN1C[C@@H](O)CN(S(=O)(=O)c2ccc(F)cc2)CC1=O ZINC000105846923 EC Annotated Anodyne COCCN1C[C@H](O)CN(C(=O)c2ccc(SC)cc2)CC1=O ZINC000105847249 EC Annotated Anodyne COCCN1C[C@@H](O)CN(C(=O)c2ccc(SC)cc2)CC1=O ZINC000105847253 EC Annotated Anodyne COc1cccc(CN2C[C@H](O)CN(C(=O)C3CC3)CC2=O)c1OC ZINC000105847866 EC Annotated Anodyne COc1cccc(CN2C[C@@H](O)CN(C(=O)C3CC3)CC2=O)c1OC ZINC000105847871 EC Annotated Anodyne CS(=O)(=O)N1CC(=O)N(CCCc2ccccc2)C[C@@H](O)C1 ZINC000105848764 EC Annotated Anodyne CS(=O)(=O)N1CC(=O)N(CCCc2ccccc2)C[C@H](O)C1 ZINC000105848769 EC Annotated Anodyne CCS(=O)(=O)N1CC(=O)N(CCCc2ccccc2)C[C@@H](O)C1 ZINC000105848773 EC Annotated Anodyne CCS(=O)(=O)N1CC(=O)N(CCCc2ccccc2)C[C@H](O)C1 ZINC000105848776 EC Annotated Anodyne COc1ccc(C(=O)N2CC(=O)N(C3CCC3)C[C@@H](O)C2)cc1OC ZINC000105849724 EC Annotated Anodyne COc1ccc(C(=O)N2CC(=O)N(C3CCC3)C[C@H](O)C2)cc1OC ZINC000105849727 EC Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H](O)CN1CC1CC1 ZINC000105850535 EC Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H](O)CN1CC1CC1 ZINC000105850541 EC Annotated Anodyne CC(=O)O[C@@]1(C)C[C@H](C)C(=O)[C@@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000106715934 EC Annotated Anodyne O=C1C[C@H]2[C@@H](CCN2Cc2ccccn2)N1CCN1CCOCC1 ZINC000107198507 EC Annotated Anodyne CS(=O)(=O)N1CC[C@@H]2O[C@H](COCC(=O)N3CCCC3)CC[C@@H]21 ZINC000107205010 EC Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(C)=O)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000109123871 EC Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(C)=O)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000109123873 EC Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000109123874 EC Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H](C(C)=O)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000109123876 EC Annotated Anodyne Cn1c(N2CCO[C@@H]3COC[C@H]32)nc(-c2ccncc2F)cc1=O ZINC000114415784 EC Annotated Anodyne CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#CC2CC2)cc1)C(=O)NO ZINC000114869159 EC Annotated Anodyne in-vivo CC(C)(O)[C@H](NC(=O)c1ccc(C#CC#CC2CC2)cc1)C(=O)NO ZINC000114869698 EC Annotated Anodyne CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(C(C)=O)cc2)C(=O)O1 ZINC000011524493 EC Annotated Anodyne O=C(O)CN1C(=O)c2c(c(C(=O)O)cc3ccccc23)S1(=O)=O ZINC000011536144 EC Annotated Anodyne in-vivo O=C(O)CN1C(=O)c2c(ccc3cccc([N+](=O)[O-])c23)S1(=O)=O ZINC000011536238 EC Annotated Bother O=C(O)CN1C(=O)c2c(ccc3c([N+](=O)[O-])cccc23)S1(=O)=O ZINC000011536239 EC Annotated Bother CN1C(=O)c2c(c(C(=O)OCC(=O)O)cc3ccccc23)S1(=O)=O ZINC000011536243 EC Annotated Anodyne COc1ccc(Cc2noc(CN3CCNC(=O)CC3)n2)cc1OC ZINC000011662846 EC Annotated Anodyne COc1ccnc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCN(C)C)C2)c1 ZINC000011663217 EC Annotated Anodyne COc1ccnc(CN(C)C(=O)[C@H]2CCC(=O)N(CCN(C)C)C2)c1 ZINC000011663218 EC Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1cn(Cc2ccc(F)cc2)nn1 ZINC000011761361 EC Annotated Anodyne C1C[C@@H]2CN(c3nc4nonc4nc3N3CCSCC3)CCN2C1 ZINC000011934080 EC Annotated Anodyne C1C[C@H]2CN(c3nc4nonc4nc3N3CCSCC3)CCN2C1 ZINC000011934081 EC Annotated Anodyne COCCNc1nc(-c2cnn(CCO)c2)cc2ncn(C)c(=O)c12 ZINC000115626060 EC Annotated Anodyne Cn1cc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cn1 ZINC000115626677 EC Annotated Anodyne COC(=O)CNC(=O)c1ncc(-c2cccc(C(N)=O)c2)cc1O ZINC000117534219 EC Annotated Anodyne CC(C)Oc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2C)cc1 ZINC000012054718 EC Annotated Anodyne CC(C)Oc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2C)cc1 ZINC000012054720 EC Annotated Anodyne CCN(CC)[C@@H]1CCN(c2nc3nonc3nc2NCCOC)C1 ZINC000012075451 EC Annotated Anodyne CCN(CC)[C@H]1CCN(c2nc3nonc3nc2NCCOC)C1 ZINC000012075453 EC Annotated Anodyne COCCCNc1nc2nonc2nc1N1CCN2CCC[C@@H]2C1 ZINC000012194794 EC Annotated Anodyne O=C1NCCN(C2Cc3ccccc3C2)[C@H]1CC(=O)N1CCCCO1 ZINC000012314512 EC Annotated Anodyne O=C1NCCN(C2Cc3ccccc3C2)[C@@H]1CC(=O)N1CCCCO1 ZINC000012314513 EC Annotated Anodyne O=C(c1cn(CCN2CCCCC2)nn1)N1CCc2[nH]ncc2C1 ZINC000012315997 EC Annotated Anodyne CN1CCCN(c2nc3nonc3nc2N2CCSCC2)CC1 ZINC000012442021 EC Annotated Anodyne CN(Cc1cnccn1)c1nc2nonc2nc1N1CCSCC1 ZINC000012458787 EC Annotated Anodyne O=C[C@@H](NC(=O)Cc1cccs1)[C@@H]1N=C(C(=O)O)CCS1 ZINC000012504489 EC Annotated Mild in-vivo CC(C)[C@H]1CN(C)CCN1c1nc2nonc2nc1N1CCOCC1 ZINC000012573515 EC Annotated Anodyne O=C(O)[C@@H]1[C@@H]2O[C@H]([C@@H]1C(=O)O)[C@@H](Br)[C@@H]2Br ZINC000012670955 EC Annotated Reactive O=C(O)[C@H]1[C@@H]2O[C@@H]([C@@H](Br)[C@@H]2Br)[C@@H]1C(=O)O ZINC000012670961 EC Annotated Reactive CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCCO1 ZINC000012712213 EC Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCCO1 ZINC000012712218 EC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000012730902 EC Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)[C@@H]1C ZINC000013118790 EC Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)[C@@H]1C ZINC000013118791 EC Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)[C@@H]1C ZINC000013118792 EC Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)[C@@H]1C ZINC000013118793 EC Annotated Anodyne COC1=CC=C/C(=C\NNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)C1=O ZINC000013118943 EC Annotated Reactive O=C1C=C/C(=C\NNC(=O)CNC(=O)CCc2ccccc2)C(O)=C1 ZINC000013119033 EC Annotated Reactive CCNc1nc(NCC)nc(NN/C=C2/C=CC(=O)C(OC)=C2)n1 ZINC000013119177 EC Annotated Mild O=C1C([N+](=O)[O-])=CC=C/C1=C\NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000013119201 EC Annotated Reactive O=C1C([N+](=O)[O-])=CC=C/C1=C\NNC(=O)[C@H]1COc2ccccc2O1 ZINC000013119202 EC Annotated Reactive O=C1C=C/C(=C\NNC(=O)CNC(=O)COc2ccccc2)C(O)=C1 ZINC000013119301 EC Annotated Reactive O=C1C=CC(=C2C=C(C(=O)NCCCN3CCOCC3)NO2)C=C1 ZINC000013119841 EC Annotated Mild COC1=CC(=O)/C(=C/NNC(=O)c2ccncc2)C(OC)=C1[N+](=O)[O-] ZINC000013120571 EC Annotated Reactive Cc1ccc(S(=O)(=O)NCC(=O)NN/C=C2\C=CC=CC2=O)cc1 ZINC000013121633 EC Annotated Reactive O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC1=NS(=O)(=O)c2ccccc21 ZINC000013122094 EC Annotated Mild COc1nn([C@@H](C)C(=O)NNC=C2C=CC(=O)C=C2)cc1[N+](=O)[O-] ZINC000013122252 EC Annotated Reactive COc1nn([C@H](C)C(=O)NNC=C2C=CC(=O)C=C2)cc1[N+](=O)[O-] ZINC000013122253 EC Annotated Reactive CC(NNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)=C1C=CC(=O)C=C1 ZINC000013122611 EC Annotated Reactive O=C(NC[C@@H]1CCCO1)C(=O)NN/C=C1\C=C(Cl)C=CC1=O ZINC000013122628 EC Annotated Reactive O=C(NC[C@H]1CCCO1)C(=O)NN/C=C1\C=C(Cl)C=CC1=O ZINC000013122629 EC Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CNC(=O)c2cccs2)C1=O ZINC000013122681 EC Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2ccc(C)nc2)C1=O ZINC000013122751 EC Annotated Reactive COC1=CC=C/C(=C\NNc2cc(N3CCOCC3)ncn2)C1=O ZINC000013123277 EC Annotated Mild CCOC1=C/C(=C/NNC(=O)C(=O)NC)C=C(Br)C1=O ZINC000013124189 EC Annotated Reactive CCOC1=C/C(=C/NNC(=O)C(=O)NCc2cccnc2)C=CC1=O ZINC000013124312 EC Annotated Reactive COC1=C/C(=C/NNC(=O)CNC(=O)c2cccs2)C=CC1=O ZINC000013125071 EC Annotated Reactive CCc1nnc(NN/C=C2\C=C(Br)C(O)=CC2=O)n1N ZINC000013125077 EC Annotated Mild O=C1C=CC(=CNNC(=O)CNS(=O)(=O)c2ccccc2)C=C1 ZINC000013125152 EC Annotated Reactive COC1=C/C(=C\NNC(=O)CCn2nnc3ccccc32)C(=O)C=C1 ZINC000013126681 EC Annotated Reactive COC1=CC=C/C(=C\NNC(=O)Cn2nnc3ccccc32)C1=O ZINC000013126723 EC Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)Cn2nc(C)cc2C)C1=O ZINC000013126766 EC Annotated Reactive O=C(Cn1nc2ccccc2n1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000013126869 EC Annotated Reactive COC(=O)CSC1=C(C#N)C(=C2C=CC(=O)C=C2)C(C#N)=C(N)N1 ZINC000013130627 EC Annotated Reactive CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCC2)[C@@H]3C1=O ZINC000013132218 EC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCC2)[C@@H]3C1=O ZINC000013132220 EC Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)NCc1ccco1 ZINC000013153288 EC Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)NCc1ccco1 ZINC000013153289 EC Annotated Anodyne C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000013153305 EC Annotated Anodyne C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000013153306 EC Annotated Anodyne C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 ZINC000013153307 EC Annotated Anodyne C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 ZINC000013153308 EC Annotated Anodyne CCC[C@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013153858 EC Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[C@@H](O)COc4ccccc4)C(=O)[C@@H]13)O2 ZINC000013154427 EC Annotated Anodyne CCOc1ccc(N[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000013154718 EC Annotated Bother CCOc1ccc(N[C@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000013154719 EC Annotated Bother Cc1cc(S(=O)(=O)N[C@H](C(=O)NO)C2CCOCC2)ccc1F ZINC000013281198 EC Annotated Anodyne C[C@@H]1OC(c2cccc(O)c2O)=N[C@@H]1C(=O)N(O)CCc1c[nH]cn1 ZINC000013307409 EC Annotated Clean COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@]1(O)CCO[C@@H]1O2 ZINC000013308687 EC Annotated Anodyne in-man endogenous COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@]1(O)CCO[C@@H]1O2 ZINC000013308689 EC Annotated Anodyne in-man endogenous COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@]1(O)CCO[C@H]1O2 ZINC000013308691 EC Annotated Anodyne in-man endogenous COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@]1(O)CCO[C@H]1O2 ZINC000013308692 EC Annotated Anodyne in-man endogenous C/C=C1/C[N+]2(C)CC[C@]3(O)c4ccccc4N4[C@@H](CO)[C@H]1C[C@H]2[C@@]43O ZINC000013310813 EC Annotated Bother in-vitro biogenic COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](C)[C@@H](O)[C@@](C)(O)[C@@H]1O ZINC000013312316 EC Annotated Mild O=C1C[C@@H](O)Cc2ccc(O)c(c2)-c2cc(ccc2O)C[C@@H](O)[C@@H]1O ZINC000013373337 EC Annotated Anodyne COC(=O)c1ccccc1/C(OC)=C1\C(=O)O[C@H](C(C)(C)O)[C@H]1O ZINC000013374869 EC Annotated Anodyne CC(=O)NCCSC1=C(C(=O)O)N2C(=O)/C(=C(\C)CO)[C@H]2C1 ZINC000013383673 EC Annotated Anodyne CC(=O)N/C=C/SC1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 ZINC000013383682 EC Annotated Anodyne O=C1C[C@@H](O)[C@@H](O)Cc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H]1O ZINC000013383705 EC Annotated Anodyne COc1cc(O)c2c(=O)c3c([nH]c2c1)C[C@@](O)(C(C)=O)C(=O)C=C3 ZINC000013398262 EC Annotated Mild C[C@]1(C[C@H](NC(=O)c2cc(Br)c[nH]2)C(=O)O)CNC=N1 ZINC000013398831 EC Annotated Anodyne C[C@]1(C[C@@H](NC(=O)c2cc(Br)c[nH]2)C(=O)O)CNC=N1 ZINC000013398840 EC Annotated Anodyne O=c1oc2c(O)c(O)c(O)c3c(=O)oc4c(O)c(O)c(O)c1c4c23 ZINC000013408530 EC Annotated Clean CC(=O)O[C@H]1C(=O)C(C)=CC[C@@]12[C@@H]1[C@H](C)COC(=O)[C@H]1O[C@]2(C)O ZINC000013414750 EC Annotated Mild in-man CC(=O)O[C@H]1C(=O)C(C)=CC[C@@]12[C@H]1[C@H](O[C@]2(C)O)C(=O)OC[C@@H]1C ZINC000013414753 EC Annotated Mild in-man CC(=O)O[C@H]1C(=O)C(C)=CC[C@@]12[C@@H]1[C@H](C)COC(=O)[C@@H]1O[C@]2(C)O ZINC000013414756 EC Annotated Mild in-man CC(=O)O[C@H]1C(=O)C(C)=CC[C@@]12[C@@H]1[C@@H](C)COC(=O)[C@@H]1O[C@]2(C)O ZINC000013414759 EC Annotated Mild in-man CC(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@@H](OC(C)=O)C[C@H]1OC(C)=O ZINC000013435670 EC Annotated Anodyne O=C(O)CCNC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2 ZINC000013436037 EC Annotated Anodyne CO[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440456 EC Annotated Bother CO[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440458 EC Annotated Bother CC(=O)N(C)[C@@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440471 EC Annotated Anodyne CC(=O)N(C)[C@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440473 EC Annotated Anodyne CC(=O)O[C@H]1C=C(Br)C(=O)[C@H](Br)[C@@H]1O ZINC000013450105 EC Annotated Reactive CC(=O)O[C@H]1C=C(Br)C(=O)[C@@H](Br)[C@@H]1O ZINC000013450112 EC Annotated Reactive CN1C(=O)Nc2ccc(Br)cc2[C@@]12NC(=O)NC2=O ZINC000013455896 EC Annotated Anodyne CN1C(=O)Nc2ccc(Br)cc2[C@]12NC(=O)NC2=O ZINC000013455899 EC Annotated Anodyne CN1C(=O)Nc2c([N+](=O)[O-])cc(Cl)cc2[C@@]12NC(=O)NC2=O ZINC000013456028 EC Annotated Bother CN1C(=O)Nc2c([N+](=O)[O-])cc(Cl)cc2[C@]12NC(=O)NC2=O ZINC000013456031 EC Annotated Bother O=C1NCCN1CCN1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000013472091 EC Annotated Anodyne OCc1nccc(N2CCN(c3nc(Cl)nc(Cl)n3)CC2)n1 ZINC000013472144 EC Annotated Anodyne CCCCn1c(=O)c2nn(S(C)(=O)=O)cc2n(CCCC)c1=O ZINC000013473877 EC Annotated Anodyne CCCCn1c(=O)c2cn(S(C)(=O)=O)nc2n(CCCC)c1=O ZINC000013473882 EC Annotated Anodyne O=C(NO)[C@@H]1COC(c2ccc(I)cc2)=N1 ZINC000013474929 EC Annotated Anodyne O=C(NO)[C@H]1COC(c2ccc(I)cc2)=N1 ZINC000013474930 EC Annotated Anodyne COC1=C(OC)[C@](O)(CCn2cnc3c(Cl)ncnc32)OC1=O ZINC000013490668 EC Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCC1(C2)OCCO1 ZINC000013491475 EC Annotated Anodyne COc1ccc2c(c1)NCCN([C@@H](C(=O)NO)C(C)C)S2(=O)=O ZINC000013518124 EC Annotated Anodyne CC(C)C[C@H](C(=O)NO)N1CCNc2cc(O)ccc2S1(=O)=O ZINC000013518150 EC Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(CNCCCC(=O)O)c1O ZINC000013521244 EC Annotated Anodyne in-vitro Cc1ncc(C[n+]2cccc(CCOP(=O)(O)O)c2C)c(N)n1 ZINC000013521890 EC Annotated Anodyne in-vitro metabolite O=S(=O)(O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000013528818 EC Annotated Anodyne O=C(CN1Cc2c(cccc2C(F)(F)F)NS1(=O)=O)NO ZINC000013530600 EC Annotated Anodyne O=C(CN1Cc2c(Br)cccc2NS1(=O)=O)NO ZINC000013530603 EC Annotated Anodyne CC(=O)Nc1cc2c(cc1[N+](=O)[O-])nc(O)c1nc(C(=O)O)nn12 ZINC000013532647 EC Annotated Bother N[C@@H](CCC(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1)C(=O)O ZINC000013536379 EC Annotated Anodyne Nc1cc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)O)cc3)C[C@H]1CN2 ZINC000013542779 EC Annotated Anodyne in-vitro O=C(O)c1nc2cc(N3CCC(O)CC3)c([N+](=O)[O-])cc2nc1O ZINC000013553633 EC Annotated Bother O=C(O)c1nc2cc(-n3cnc(CO)c3)c([N+](=O)[O-])cc2nc1O ZINC000013553638 EC Annotated Bother C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)N(CC(N)=O)C(=O)C2)C1 ZINC000013557422 EC Annotated Anodyne CCOC(=O)c1[nH]c2c(c1COC(C)=O)C(=O)C(N1CC1)=CC2=O ZINC000013558554 EC Annotated Mild CC(=O)OCc1[nH]c2c(c1COC(C)=O)C(=O)C(N1CC1)=CC2=O ZINC000013558555 EC Annotated Mild Cn1cc(C(=O)Cc2ccccc2)cc1C=C(C(=O)NO)C(=O)NO ZINC000013559551 EC Annotated Anodyne CSCC[C@H](N)C(=O)N(O)CC(=O)NCCc1ccccn1 ZINC000013588305 EC Annotated Anodyne Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)nn1C ZINC000013594411 EC Annotated Anodyne Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)nn1C ZINC000013594414 EC Annotated Anodyne COCCCNc1nc2nonc2nc1N(C)C[C@@H]1CCCN1C ZINC000013594508 EC Annotated Anodyne COCCCNc1nc2nonc2nc1N(C)C[C@H]1CCCN1C ZINC000013594510 EC Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC(F)(F)F)o1 ZINC000013596574 EC Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC(F)(F)F)o1 ZINC000013596577 EC Annotated Anodyne NC(N)=Nc1nc(-c2cccc(CNC(=O)[C@@H]3CCCO3)n2)cs1 ZINC000013600792 EC Annotated Mild NC(N)=Nc1nc(-c2cccc(CNC(=O)[C@H]3CCCO3)n2)cs1 ZINC000013600795 EC Annotated Mild NC(N)=Nc1nc(-c2cccc(CNC(=O)[C@@H]3CCOC3)n2)cs1 ZINC000013600798 EC Annotated Mild NC(N)=Nc1nc(-c2cccc(CNC(=O)[C@H]3CCOC3)n2)cs1 ZINC000013600802 EC Annotated Mild CS(=O)(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1 ZINC000013600811 EC Annotated Mild C/N=C(\NC#N)NCc1cccc(-c2csc(N=C(N)N)n2)n1 ZINC000013600823 EC Annotated Mild CN/C(=C\[N+](=O)[O-])NCc1cccc(-c2csc(N=C(N)N)n2)n1 ZINC000013600828 EC Annotated Mild O=S(=O)(NCCC(F)(F)F)c1ccc2c(c1)CN[C@H](CO)C2 ZINC000013607018 EC Annotated Anodyne O=S(=O)(NCCC(F)(F)F)c1ccc2c(c1)CN[C@@H](CO)C2 ZINC000013607020 EC Annotated Anodyne O=C(O)[C@H]1NCCN(C(=O)c2ccc3ccccc3c2)[C@H]1C(=O)O ZINC000013642357 EC Annotated Anodyne C#CC[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](O)c1cc(F)cc(F)c1 ZINC000013649013 EC Annotated Mild CCn1c2cc(N3CCNCC3)c(F)cc2n2c(=O)nc(O)cc12 ZINC000013650475 EC Annotated Anodyne CCn1c2cc(N3CCNCC3)c(F)cc2n2c(=O)n(O)c(=O)cc12 ZINC000013650479 EC Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@@H]1OC3(CC=C12)C(=O)NC(=O)NC3=O ZINC000013651644 EC Annotated Mild C=C[C@H](CC(=O)O)NC(=O)CCC(=O)N(C)c1ccc(C(=N)N)cc1 ZINC000013741917 EC Annotated Mild O=c1[nH]c(=O)n(COC(CO)CO)cc1Cc1cccc(Cl)c1 ZINC000013743498 EC Annotated Anodyne CCOC(=O)CCCn1c(=O)c2nc(CC)c(CC)nc2n(C)c1=O ZINC000013745155 EC Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc2c(c1)C(O)=NS2(=O)=O)C(F)(F)F ZINC000013760250 EC Annotated Anodyne C[C@](O)(C(=O)Nc1ccc2c(c1)C(O)=NS2(=O)=O)C(F)(F)F ZINC000013760251 EC Annotated Anodyne O=C(O)Cn1ccc(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O ZINC000013761141 EC Annotated Bother Cc1c(C(=O)N=C(N)N)ccc(Oc2cccnc2)c1S(C)(=O)=O ZINC000013763105 EC Annotated Mild N=C(N)NCCCCOc1ccc2c(c1)CCN(CC(=O)O)C2=O ZINC000013763494 EC Annotated Anodyne N=C(N)NCCCCCOc1ccc2c(c1)CCN(CC(=O)O)C2=O ZINC000013763496 EC Annotated Anodyne N=C(N)NCCCCOc1ccc2c(c1)C(=O)N(CC(=O)O)CC2 ZINC000013763506 EC Annotated Anodyne CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=N)N)[C@H]1NC(C)=O ZINC000013780049 EC Annotated Anodyne O=C(Nc1ccc(O)cc1)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O ZINC000013781303 EC Annotated Anodyne Cc1ccc(CN2C(=O)c3cccn3[C@]3(CC(=O)NC3=O)C2=O)cc1 ZINC000013781456 EC Annotated Anodyne C#CCn1c(=O)c2c(nc(/C=C/c3cccc(N)c3)n2C)n(C)c1=O ZINC000013804957 EC Annotated Mild C#CCn1c(=O)c2c(nc(/C=C/c3cccc(O)c3)n2C)n(C)c1=O ZINC000013804959 EC Annotated Mild NC(N)=NS(=O)(=O)c1ccc(I)cc1 ZINC000013808037 EC Annotated Mild CO/C(N)=N/S(=O)(=O)c1ccc(I)cc1 ZINC000013808087 EC Annotated Mild NS(=O)(=O)c1cc2cc(CN(CCO)CCO)sc2s1 ZINC000013822158 EC Annotated Anodyne CC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1 ZINC000013825355 EC Annotated Anodyne CC(C)CNCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1 ZINC000013825361 EC Annotated Anodyne O=C(O)C[C@]1(C(=O)O)C[C@@H]2C[C@@H](n3cnc4c(=O)[nH]cnc43)C[C@@H]2O1 ZINC000013826868 EC Annotated Anodyne N=C(N)NCCC[C@H]1C(=O)N(C(=O)NC2CCCCC2)[C@@H]1C(=O)O ZINC000013860487 EC Annotated Anodyne N[C@H](Cc1nc2cc(Cl)ccc2nc1CP(=O)(O)O)C(=O)O ZINC000013861291 EC Annotated Anodyne N[C@@H](Cc1nc2ccc(Cl)cc2nc1CP(=O)(O)O)C(=O)O ZINC000013861292 EC Annotated Anodyne N[C@H](Cc1nc2ccc(Cl)cc2nc1CP(=O)(O)O)C(=O)O ZINC000013861293 EC Annotated Anodyne N[C@H](Cc1nc2cc(F)c(F)cc2nc1CP(=O)(O)O)C(=O)O ZINC000013861296 EC Annotated Anodyne Cc1cc2nc(C[C@@H](N)C(=O)O)c(CP(=O)(O)O)nc2cc1C ZINC000013861299 EC Annotated Anodyne CCOC(=O)[C@@H](N)Cc1nc2ccccc2nc1CP(=O)(O)O ZINC000013861300 EC Annotated Anodyne CCOC(=O)[C@H](N)Cc1nc2ccccc2nc1CP(=O)(O)O ZINC000013861301 EC Annotated Anodyne CCC(=O)NC[C@H]1[C@H](N)[C@H](C(=O)O)CN1C(=O)N(CC)C(C)C ZINC000013862547 EC Annotated Anodyne CCN(C(=O)N1C[C@@H](C(=O)O)[C@@H](N)[C@@H]1CNC(=O)C(C)C)C(C)C ZINC000013862549 EC Annotated Anodyne N[C@H](Cc1nc2c(Cl)cccc2n1CP(=O)(O)O)C(=O)O ZINC000013862690 EC Annotated Anodyne N[C@H](Cc1nc2cccc(Cl)c2n1CP(=O)(O)O)C(=O)O ZINC000013862691 EC Annotated Anodyne CCOC(=O)[C@H](N)Cc1nc2ccccc2n1CP(=O)(O)O ZINC000013862695 EC Annotated Anodyne COC1=C(OC)[C@@](O)(CCn2cnc3c(Cl)ncnc32)OC1=O ZINC000013862802 EC Annotated Anodyne Cn1nnc(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)n1 ZINC000013863004 EC Annotated Anodyne CCOC(=O)c1nc2c(=O)[nH]c3ccc(-n4cnnc4)cc3n2n1 ZINC000013864080 EC Annotated Anodyne CCOC(=O)c1nc2c(=O)[nH]c3cc(-n4cnnc4)ccc3n2n1 ZINC000013864086 EC Annotated Anodyne O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cncn4)cc3n2n1 ZINC000013864091 EC Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H]2[C@@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000013885725 EC Annotated Bother CCOC(=O)[C@H]1CC[C@H]2[C@@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000013885726 EC Annotated Bother O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@@H]1COCC[C@@H]1Br ZINC000013885743 EC Annotated Reactive O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@H]1COCC[C@@H]1Br ZINC000013885745 EC Annotated Reactive O=[N+]([O-])c1nccn1C[C@@H](O)CNCCI ZINC000013886457 EC Annotated Reactive C[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)C(=O)N(CC(=O)O)C3=O)O1 ZINC000013896054 EC Annotated Anodyne C[C@@H](C(=O)O)[C@H]1Cc2c(cc3c(c2O)C(=O)N(CC(=O)O)C3=O)O1 ZINC000013896057 EC Annotated Anodyne C[C@@H](C(=O)O)N1Cc2c(cc3c(c2O)C[C@@H]([C@@H](C)C(=O)O)O3)C1=O ZINC000013896072 EC Annotated Clean C[C@@H](C(=O)O)N1Cc2c(cc3c(c2O)C[C@H]([C@@H](C)C(=O)O)O3)C1=O ZINC000013896077 EC Annotated Clean C[C@@H](C(=O)O)N1C(=O)c2cc3c(c(O)c2C1=O)C[C@@H]([C@@H](C)C(=O)O)O3 ZINC000013896100 EC Annotated Anodyne C[C@@H](C(=O)O)N1C(=O)c2cc3c(c(O)c2C1=O)C[C@H]([C@@H](C)C(=O)O)O3 ZINC000013896108 EC Annotated Anodyne O=C1N[C@H](C(=O)NCCO[N+](=O)[O-])[C@@H](Cc2ccccc2)S1 ZINC000013899892 EC Annotated Anodyne O=C1N[C@@H](C(=O)NCCO[N+](=O)[O-])[C@H](Cc2ccccc2)S1 ZINC000013899894 EC Annotated Anodyne O=c1[nH]/c(=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]/c1=C\c1ccccc1 ZINC000013904906 EC Annotated Bother COC1=C2[C@H]3NCC[C@]2(C[C@H](O)[C@@H]1O)c1c(ccc(OC)c1O)[C@H]3O ZINC000013985858 EC Annotated Anodyne C[C@@H]1OC(=O)/C=C/[C@@H](O)[C@H](C)OC(=O)C[C@@H](C)OC(=O)/C=C/[C@H]1O ZINC000135865955 EC Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(CC3CCCCC3)c(=O)c12 ZINC000137077988 EC Annotated Anodyne C[C@H](c1ccccc1)n1c(=O)c2c(=O)c3[nH]cc[nH]c3c(=O)c2c1=O ZINC000137078034 EC Annotated Anodyne C[C@@H](c1ccccc1)n1c(=O)c2c(=O)c3[nH]cc[nH]c3c(=O)c2c1=O ZINC000137078070 EC Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cccc(F)c3)c(=O)c12 ZINC000137078720 EC Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(CCc3ccccc3)c(=O)c12 ZINC000137079602 EC Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000137139016 EC Annotated Clean O=C1N=c2ccc(C(=O)O)cc2=C1NNc1ccccc1[N+](=O)[O-] ZINC000137813348 EC Annotated Bother NC(=O)OCc1c(O)c2c(c(O)c1COC(N)=O)C(=O)C=CC2=O ZINC000137921362 EC Annotated Mild in-vivo O=[N+]([O-])c1ccc(ON[N+](=O)N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000138193863 EC Annotated Bother COC(=O)[C@@]1([C@H]2OC(=O)[C@H](O)[C@@H]2C)CC(=O)c2c(O)cccc2O1 ZINC000138305133 EC Annotated Anodyne COC(=O)[C@]1([C@H]2OC(=O)[C@H](O)[C@@H]2C)CC(=O)c2c(O)cccc2O1 ZINC000138305236 EC Annotated Anodyne C=[S@@](C)[C@@H]1O[C@@H]2CO[C@H](c3ccc(OC)cc3)O[C@@H]2[C@H](O)[C@@H]1O ZINC000138643089 EC Annotated Anodyne C[n+]1c(/C=C\CNC(=O)c2cc(Br)c[nH]2)c[nH]c1N ZINC000138682603 EC Annotated Anodyne O=C(NCCc1ccc(F)cc1)c1cnc(C(=O)NO)c(O)c1CO ZINC000138888949 EC Annotated Anodyne C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]4(CO4)[C@H]1C)[C@H]23 ZINC000138962395 EC Annotated Mild CO[C@@H]1C=C[C@]2(c3cc4c(cc3CO)OCO4)[C@H](C1)N(C)C[C@@H]2O ZINC000139060443 EC Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000139093027 EC Annotated Anodyne COc1ccc(C(=O)Cc2cnccn2)n2nc(C3(CO)CC3)nc12 ZINC000139731283 EC Annotated Anodyne CS(=O)(=O)CCO[P@@](N)(=O)N(CCCl)CCCl ZINC000014191488 EC Annotated Reactive CS[C@@]1(CO)NC(=O)[C@@](Cc2ccccc2)(SC)N(C)C1=O ZINC000014489744 EC Annotated Anodyne CS[C@@]1(CO)NC(=O)[C@@](Cc2ccccc2)(SC)NC1=O ZINC000014489752 EC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1C(=O)C=C(COC(=O)C(=O)O)[C@@H]12 ZINC000014498776 EC Annotated Mild in-vitro O=C1N=c2ccc([N+](=O)[O-])cc2=C1c1[nH]c2ccc(O)cc2c1NO ZINC000140004146 EC Annotated Bother in-vivo COc1cc2c(cc1O)[C@]1(OC2=O)[C@H](O)[C@@H](O)C=C2CCN(C)[C@H]21 ZINC000140019252 EC Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@@H](C)C[C@H](O)CC ZINC000140073418 EC Annotated Anodyne O=C(OCCO)c1cc(O)c(CO)cc1C(=O)c1ccccc1O ZINC000141354241 EC Annotated Anodyne CC(=O)O[C@H]1C[C@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H]2C=C1C(=O)O2 ZINC000141431744 EC Annotated Anodyne C[C@@H](O)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 ZINC000141572602 EC Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc(Br)c(=O)[nH]c2=O)cc1 ZINC000141595794 EC Annotated Anodyne CN(C)/C=C1\SC(=S)N(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)C1=O ZINC000141902058 EC Annotated Clean COC(=O)[C@@]1(O)c2c(oc3cccc(O)c3c2=O)OC=C(C)[C@H]1O ZINC000142318963 EC Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000142653484 EC Annotated Mild CN(Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1)C(=O)CN ZINC000142764770 EC Annotated Anodyne CO[C@@H]1C[C@@]23C(=C[C@H]1O)[C@@H](O)CN2CCc1cc2c(cc13)OCO2 ZINC000143713640 EC Annotated Anodyne CC1=CC2=C(CC(CO)=C[C@H]3[C@@H]4C(C)(C)[C@]4(O)[C@H](O)[C@@H](C)[C@]23O)[C@H]1O ZINC000143781332 EC Annotated Anodyne C[C@H](CO)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)C=C[C@@H](O)[C@@]2(C)[C@@H]13 ZINC000144131916 EC Annotated Anodyne Cn1cc(-c2cnc3nnn(Cc4n[nH]c5ncccc45)c3n2)cn1 ZINC000144183183 EC Annotated Anodyne CC[C@@H](C)C1=C(N(OC)C(=O)C(C)C)C(=O)N1C(=O)CC(N)=O ZINC000144436137 EC Annotated Anodyne C[C@@H]1OC(=O)C[C@@H](C)OC(=O)/C=C/[C@H](O)[C@H](C)OC(=O)/C=C/C1=O ZINC000014584920 EC Annotated Mild O=C1NC(=O)/C(=C/CCNC(=O)c2cc(Br)c[nH]2)N1 ZINC000014610470 EC Annotated Anodyne CCc1oc(=O)cc2c1C[C@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13 ZINC000014612031 EC Annotated Anodyne in-vitro biogenic COC(=O)C[C@@H]1C[C@@H]2C(=O)c3cccc(O)c3C(=O)[C@@]2(O)[C@@H](C)O1 ZINC000014612161 EC Annotated Clean O=C(c1c(O)cc(O)cc1O)[C@H](O)[C@H](O)c1cc(O)c(O)c(O)c1 ZINC000014616610 EC Annotated Clean CC[C@H](O)[C@@H]1CC=C[C@@H]2CC(=O)NCCCCN(C=O)CCCN21 ZINC000014636526 EC Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@@H]3O[C@@]34CCN(C2)[C@@H]14 ZINC000014681922 EC Annotated Anodyne COc1c(C[C@H](O)C(C)(C)O)c(=O)n(C)c2c3c(ccc12)OCO3 ZINC000014682512 EC Annotated Anodyne C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]4(CO4)[C@@H]1C)[C@@H]23 ZINC000014718825 EC Annotated Mild C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]4(CO4)[C@H]1C)[C@@H]23 ZINC000014718827 EC Annotated Mild C=C1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]4(CO4)[C@@H]1C)[C@@H]23 ZINC000014718829 EC Annotated Mild C=C1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]4(CO4)[C@H]1C)[C@@H]23 ZINC000014718830 EC Annotated Mild CC(C)C[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O ZINC000014724069 EC Annotated Bother in-vitro biogenic CC(C)C[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O ZINC000014724071 EC Annotated Bother CC(C)C[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O ZINC000014724073 EC Annotated Bother in-vitro biogenic CC(C)C[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O ZINC000014724075 EC Annotated Bother CC(=O)OC/C=C/C#CC#CC#CC#C[C@@H](COC(C)=O)OC(C)=O ZINC000014772115 EC Annotated Mild CC(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)/C(C)=C/CO)[C@H]1C(C)C ZINC000014813576 EC Annotated Mild O=c1ccc2cc3ccoc3c(O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000014885061 EC Annotated Anodyne in-man endogenous O=c1ccc2cc3ccoc3c(O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000014885063 EC Annotated Anodyne in-man endogenous O=c1ccc2cc3ccoc3c(O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000014885064 EC Annotated Anodyne in-man endogenous COC1=C[C@@]23CCCN2CCc2cc4c(cc2[C@@]3(O)[C@@H]1O)OCO4 ZINC000014922261 EC Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C(=O)C(C)=CC[C@]12[C@H]1[C@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000014950013 EC Annotated Mild in-man endogenous CC(=O)O[C@H]1C(=O)C(C)=CC[C@]12[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000014950016 EC Annotated Mild in-man endogenous CC(=O)O[C@H]1C(=O)C(C)=CC[C@]12[C@H]1[C@H](C)COC(=O)[C@H]1O[C@@]2(C)O ZINC000014950019 EC Annotated Mild in-man endogenous CC(=O)O[C@H]1C(=O)C(C)=CC[C@]12[C@@H]1[C@H](O[C@@]2(C)O)C(=O)OC[C@@H]1C ZINC000014950022 EC Annotated Mild in-man endogenous N=C(N)NNS(=O)(=O)c1ccc(/N=N/C2=C(N)N=NC2=N)cc1 ZINC000014965706 EC Annotated Clean CC(=O)O[C@H]1C=C(Br)[C@@H](O)[C@@H](Br)[C@@H]1O ZINC000014966302 EC Annotated Reactive N=C(N)/N=C(\N)SCc1cccc(CS/C(N)=N/C(=N)N)c1 ZINC000014966680 EC Annotated Mild COC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(C(C)C)CC2)C1 ZINC000014971168 EC Annotated Anodyne COC(=O)CNC(=O)[C@H]1CCCN(C2CCN(C(C)C)CC2)C1 ZINC000014971171 EC Annotated Anodyne CSCCCNC(=O)Cn1nnnc1CN1CCCCCC1 ZINC000014971887 EC Annotated Anodyne CCCN1C(=O)[C@@H](C2=CC(=O)c3[nH]cc(CCN)c3C2=O)N(C)C1=O ZINC000014977590 EC Annotated Mild CCCN1C(=O)[C@H](C2=CC(=O)c3[nH]cc(CCN)c3C2=O)N(C)C1=O ZINC000014977593 EC Annotated Mild CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)C ZINC000145373887 EC Annotated Bother C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1NC(=O)N[C@@H]12 ZINC000145456466 EC Annotated Mild NC(=O)c1c(-c2ccc(N)cc2)nsc1NC(=O)NCCCO ZINC000145681612 EC Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H]2C=C1C(=O)O2 ZINC000145694648 EC Annotated Anodyne CCN1C(=N)[C@H]2C(=O)N(CC)C(=S)N3CCCN(C1=S)[C@H]23 ZINC000148414116 EC Annotated Anodyne CCN1C(=N)[C@@H]2C(=O)N(CC)C(=S)N3CCCN(C1=S)[C@H]23 ZINC000148414313 EC Annotated Anodyne CCc1ncnc(N2CCN(C)C(=O)C2)c1C#Cc1ccc(N)nc1 ZINC000149210138 EC Annotated Mild CCc1ncnc(N2CCS(=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149220818 EC Annotated Mild Cc1ncnc(N2CCS(=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149463595 EC Annotated Mild Cn1cc(-c2cnc3nnn(Cc4ccc5ncnn5c4)c3n2)cn1 ZINC000149826075 EC Annotated Anodyne C/C(O)=N\[C@H]1[C@H](SCCCCCCN)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000149936140 EC Annotated Mild COc1cc(/C=C/C(=O)O)cc(OC)c1OC(=O)[C@@H](O)CC(=O)O ZINC000001529545 EC Annotated Anodyne in-vitro Cc1cc2nc(C[C@H](N)C(=O)O)c(CP(=O)(O)O)nc2cc1C ZINC000001533936 EC Annotated Anodyne N[C@@H](Cc1nc2cc(Cl)ccc2nc1CP(=O)(O)O)C(=O)O ZINC000001533938 EC Annotated Anodyne N[C@@H](Cc1nc2cc(F)c(F)cc2nc1CP(=O)(O)O)C(=O)O ZINC000001533940 EC Annotated Anodyne N[C@H](Cc1nc2cc(Cl)ccc2n1CP(=O)(O)O)C(=O)O ZINC000001534018 EC Annotated Anodyne Cc1cc2nc(C[C@@H](N)C(=O)O)n(CP(=O)(O)O)c2cc1C ZINC000001534020 EC Annotated Anodyne N[C@H](Cc1nc2ccc(Cl)cc2n1CP(=O)(O)O)C(=O)O ZINC000001534022 EC Annotated Anodyne O=C1N[C@H](C(=O)NCCO[N+](=O)[O-])[C@H](Cc2ccccc2)S1 ZINC000001534522 EC Annotated Anodyne CCCOc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1 ZINC000001541372 EC Annotated Anodyne O=[N+]([O-])c1nccn1C[C@H](O)CNCCI ZINC000001546774 EC Annotated Reactive CN(C)Cc1ccc(CSCCNC2=NS(=O)N=C2N)o1 ZINC000001585788 EC Annotated Anodyne Cc1nc2c(n1C)C(=O)c1nc(CBr)[nH]c(=O)c1C2=O ZINC000001616716 EC Annotated Reactive COCN1C(=O)[C@@H]2CC(/C=C/C(N)=O)=CN2C(=O)c2ccccc21 ZINC000001617626 EC Annotated Anodyne COCN1C(=O)[C@H]2CC(/C=C/C(N)=O)=CN2C(=O)c2ccccc21 ZINC000001617628 EC Annotated Anodyne COC(=O)CC[C@]12CCC(=O)[C@H]1[C@@H](C(=O)OC)C[C@H]2C(=O)OC ZINC000001619706 EC Annotated Anodyne CCOC(=O)C(=O)NNc1nc2c(s1)C(=O)c1ccccc1C2=O ZINC000001625303 EC Annotated Reactive CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001628854 EC Annotated Anodyne COC(=O)CC[C@@H](NC(=S)N/N=C/c1ccccn1)C(=O)OC ZINC000001629671 EC Annotated Mild COC(=O)CC[C@@H](NC(=S)N/N=C/c1ccco1)C(=O)OC ZINC000001629687 EC Annotated Mild CC(=O)OCCOCNC(=S)N/N=C/c1ccc([N+](=O)[O-])s1 ZINC000001629701 EC Annotated Mild CC(=O)OCCOCNC(=S)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000001629703 EC Annotated Mild O=C1c2ccccc2C(=O)N1CCCOCc1c[nH]c(=O)[nH]c1=O ZINC000001631666 EC Annotated Anodyne Nc1ccn(CCO[C@@H](c2ccccc2)P(=O)(O)O)c(=O)n1 ZINC000001633696 EC Annotated Anodyne CC1(C)O[C@@H]2[C@H](CO)O[C@@H](N/C(=N\C#N)Oc3ccccc3)[C@@H]2O1 ZINC000001634409 EC Annotated Mild CN(C)c1nc(Oc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1 ZINC000001635003 EC Annotated Anodyne CC(=O)OC1=NN=C2COC(c3ccccc3OC(C)=O)=NN2C1 ZINC000001635876 EC Annotated Anodyne CN(C(=O)Cc1ccccc1)n1cn[n+](CC(=O)OC(C)(C)C)c1 ZINC000001637800 EC Annotated Mild CC(C)(C)OC(=O)Cn1ncn(NC(=O)Cc2ccccc2)c1=O ZINC000001637801 EC Annotated Anodyne C=C1C[C@@](Cn2ccc(=O)[nH]c2=O)(c2ccc(OC)cc2)OC1=O ZINC000001642822 EC Annotated Mild COC1(OC)CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1 ZINC000001645765 EC Annotated Anodyne CCOC(=O)CCCn1nnc(C(=O)OCC)c1C(=O)OCC ZINC000001647335 EC Annotated Anodyne CCC(=O)n1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C(=O)CC ZINC000001648829 EC Annotated Bother NC1=C(N2CCCCC2)C(=O)NC2=N/C(=C\c3ccccc3)C(=O)N21 ZINC000001649823 EC Annotated Anodyne NC1=C(N2CCCCC2)C(=O)NC2=N/C(=C\c3ccco3)C(=O)N21 ZINC000001649833 EC Annotated Anodyne N#Cc1nc(CC[C@@H](C(=O)O)N2C(=O)c3ccccc3C2=O)oc1N ZINC000001649975 EC Annotated Mild CC(=O)OCCn1c(Cc2ccc([N+](=O)[O-])cc2)nn(C(C)=O)c1=O ZINC000001650277 EC Annotated Bother O=C1CC(=O)NC(NN2C(=O)CS[C@@H]2c2ccc(Cl)cc2)=N1 ZINC000001651109 EC Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC2=NC(=O)CC(=O)N2)cc1 ZINC000001651111 EC Annotated Anodyne COC(=O)c1cc(=O)n(-c2ccc3nn(C)nc3c2)cc1C(=O)OC ZINC000001651654 EC Annotated Anodyne CN(C)S(=O)(=O)/N=C/c1cccc(/C=N/S(=O)(=O)N(C)C)c1 ZINC000001655002 EC Annotated Mild CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccccc1 ZINC000001696604 EC Annotated Mild CCCCSC[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000001740851 EC Annotated Anodyne CC(=O)N(C(C)=O)n1c(Cc2ccc(C)cc2)nn(C(C)=O)c1=O ZINC000001857159 EC Annotated Anodyne CC(=O)NNC1=NN(C(C)=O)[C@]2(S1)C(=O)Nc1ccc(C)cc12 ZINC000001857190 EC Annotated Reactive O=C1[C@H]2CCCC[C@@H]2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O ZINC000001857984 EC Annotated Anodyne CCOC(=O)NN[C@]1(SC)NC(=O)c2c(cc(Cl)oc2=O)O1 ZINC000001862907 EC Annotated Reactive O=C(O)CN1C(=O)C(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000001891350 EC Annotated Bother CC(=O)Oc1ccccc1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-] ZINC000001893516 EC Annotated Anodyne in-vivo O=C(O)CN1C(=O)C(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000001915467 EC Annotated Anodyne N=C(N)Nc1nc(-c2ccc(CC(=N)NS(N)(=O)=O)o2)cs1 ZINC000001915503 EC Annotated Anodyne COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)Cc3nonc3C)C2)cc1 ZINC000015064546 EC Annotated Anodyne Cc1cc(C)n(C[C@H](C)NC(=O)Cn2nnnc2CN(C)C(C)C)n1 ZINC000015066068 EC Annotated Anodyne Cc1cc(C)n(C[C@@H](C)NC(=O)Cn2nnnc2CN(C)C(C)C)n1 ZINC000015066069 EC Annotated Anodyne COc1ccccc1-n1cc(CNC[C@@]2(O)CCCN(C)C2=O)cn1 ZINC000015070033 EC Annotated Anodyne COc1ccccc1-n1cc(CNC[C@]2(O)CCCN(C)C2=O)cn1 ZINC000015070035 EC Annotated Anodyne CN1C(=O)C(=O)N(C)[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)C1=O ZINC000015120143 EC Annotated Bother CC(=O)O[C@@]1(C)C[C@@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@H](C)C1 ZINC000015120849 EC Annotated Anodyne CC(=O)O[C@]1(C)C[C@@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@H](C)C1 ZINC000015120851 EC Annotated Anodyne CC(=O)O[C@@]1(C)C[C@H](C)C(=O)[C@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000015120852 EC Annotated Anodyne C=C[C@H]1C2=C(C(=O)NCC2)[C@@H]2O[C@@H](O)C3=C(CCNC3=O)[C@H]2[C@@H]1C ZINC000015204655 EC Annotated Mild C=C[C@H]1C2=C(C(=O)NCC2)[C@@H]2O[C@@H](O)C3=C(CCNC3=O)[C@H]2[C@H]1C ZINC000015204656 EC Annotated Mild C=C[C@@H]1C2=C(C(=O)NCC2)[C@@H]2O[C@@H](O)C3=C(CCNC3=O)[C@H]2[C@@H]1C ZINC000015204657 EC Annotated Mild C=C[C@@H]1C2=C(C(=O)NCC2)[C@@H]2O[C@@H](O)C3=C(CCNC3=O)[C@H]2[C@H]1C ZINC000015204658 EC Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@]2(C)CC[C@@H](C(O)(CO)CO)C[C@@]12O ZINC000015208933 EC Annotated Mild in-vitro biogenic CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CCC[C@@H]12)C(C)(C)O ZINC000015211068 EC Annotated Bother COC(=O)[C@]1(O)C(=O)c2c(n(C)c3ccccc3c2=O)C1(OC)OC ZINC000015212853 EC Annotated Anodyne CC(=O)O[C@@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CCC[C@@H]12)C(C)(C)O ZINC000015217032 EC Annotated Anodyne C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(O)CO)[C@H]23 ZINC000150013624 EC Annotated Mild O=C(NCCCCNc1n[n+]([O-])c2ccccc2[n+]1[O-])C(F)(F)F ZINC000150557088 EC Annotated Anodyne COC1=C/C(=C/NNC(=O)CC(=O)NC2CCCCC2)C=CC1=O ZINC000015885056 EC Annotated Reactive O=C1C=C/C(=C/NNC(=O)C(=O)NC[C@@H]2CCCO2)C=C1Cl ZINC000015952528 EC Annotated Reactive O=C1C=C/C(=C/NNC(=O)C(=O)NC[C@H]2CCCO2)C=C1Cl ZINC000015952529 EC Annotated Reactive CCOC(=O)c1ccccc1NC(=O)c1c(N)n(C)c(=O)[nH]c1=O ZINC000015952723 EC Annotated Anodyne CCOC(=O)c1ccccc1NC(O)=C1C(=O)NC(=S)NC1=O ZINC000015952740 EC Annotated Anodyne O=C1C=C/C(=C/NNC(=O)[C@@H]2COc3ccccc3O2)C=C1[N+](=O)[O-] ZINC000015952752 EC Annotated Reactive O=C1C=C/C(=C/NNC(=O)[C@H]2COc3ccccc3O2)C=C1[N+](=O)[O-] ZINC000015952753 EC Annotated Reactive COC1=C/C(=C/NNC(=O)Cn2nnc3ccccc32)C=CC1=O ZINC000015953258 EC Annotated Reactive COC1=C/C(=C/NNC(=O)c2ccc(C)nc2)C=C([N+](=O)[O-])C1=O ZINC000015953285 EC Annotated Reactive COC1=C/C(=C/NNC(=O)CCn2nnc3ccccc32)C=CC1=O ZINC000015973977 EC Annotated Reactive COc1ccc(C2=CNNC(N/N=C/C3=CC(=O)C(=O)C=C3)=N2)cc1 ZINC000015974346 EC Annotated Mild C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(O)CO)[C@H]23 ZINC000164749568 EC Annotated Mild CCOC1=C/C(=C/NNC(=O)Cn2nnc3ccccc32)C=CC1=O ZINC000016677865 EC Annotated Reactive CC(=O)OC[C@H]1O[C@H](n2ccc(-n3cncn3)nc2=O)C[C@@H]1N=[N+]=[N-] ZINC000016942624 EC Annotated Clean C=C1C#CC2=C[C@@H](OC(C)=O)[C@H](O)[C@@H](OC(=O)/C(C)=C/CC1)C2=O ZINC000165874491 EC Annotated Mild COCCNC(=O)Cc1c(C)c2c(OC)cc(O)c(C=O)c2oc1=O ZINC000167408274 EC Annotated Anodyne O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCSCC2)ncn1 ZINC000169027797 EC Annotated Anodyne CO[C@@H]1CCCN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1 ZINC000169037486 EC Annotated Anodyne CO[C@H]1CCCN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1 ZINC000169037584 EC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCC2)[C@@H]3C1=O ZINC000169299477 EC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCC2)[C@@H]3C1=O ZINC000169299479 EC Annotated Anodyne CC(=O)C/C(C)=N/[C@@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 ZINC000169302145 EC Annotated Reactive CC(=O)C/C(C)=N/[C@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 ZINC000169302146 EC Annotated Reactive O=C1OC(=O)/C(=C\NCCN2CCOCC2)C=C1Br ZINC000169302648 EC Annotated Reactive COC(=O)C[C@@H]1OC[C@H](CO)N1S(=O)(=O)c1ccc(C)cc1 ZINC000169303008 EC Annotated Anodyne CC(C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC(C)C ZINC000169304245 EC Annotated Anodyne CC(C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC(C)C ZINC000169304246 EC Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CC[C@@H](N)[C@@H](O)C1 ZINC000169304579 EC Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CC[C@H](N)[C@@H](O)C1 ZINC000169304580 EC Annotated Anodyne CC(=O)O[C@@]1(C)C[C@@H](C)C(=O)[C@@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000169305309 EC Annotated Anodyne CC(=O)O[C@]1(C)C[C@@H](C)C(=O)[C@@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1 ZINC000169305310 EC Annotated Anodyne Nc1ccn([C@@H]2O[C@H](CNCc3ccco3)[C@@H](O)C2(F)F)c(=O)n1 ZINC000169306732 EC Annotated Anodyne COC(=O)CN(C)c1ccc(S(=O)(=O)N(C)C)c2nonc12 ZINC000169308044 EC Annotated Anodyne O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[C@@H](O)COc4ccccc4)C(=O)[C@@H]13)O2 ZINC000169309175 EC Annotated Anodyne O=C(O)[C@H]1[C@@H]2C(=O)N(C[C@@H](O)COc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000169309179 EC Annotated Anodyne COC1=CC(=O)[C@]2([C@H](C)[C@H](O)c3ccc(OC)c(O)c3)O[C@@H]2C1=O ZINC000169309407 EC Annotated Mild COC1=CC(=O)[C@]2([C@H](C)[C@@H](O)c3ccc(OC)c(O)c3)O[C@@H]2C1=O ZINC000169309409 EC Annotated Mild COC1=CC(=O)[C@]2([C@@H](C)[C@H](O)c3ccc(OC)c(O)c3)O[C@@H]2C1=O ZINC000169309410 EC Annotated Mild COC1=CC(=O)[C@]2([C@@H](C)[C@@H](O)c3ccc(OC)c(O)c3)O[C@@H]2C1=O ZINC000169309413 EC Annotated Mild CC1=C(N2C[C@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1N[C@@H]31 ZINC000169313346 EC Annotated Mild COc1ccc(NC2=N[C@@H]3NN=C(N)[C@H]3C3=C2CN(C)CC3)cc1 ZINC000169313721 EC Annotated Anodyne COc1ccc(NC2=N[C@H]3NN=C(N)[C@H]3C3=C2CN(C)CC3)cc1 ZINC000169313722 EC Annotated Anodyne O=C(Nc1nnn[nH]1)c1oc2ccccc2c(=O)c1N1CCOCC1 ZINC000169315143 EC Annotated Anodyne CCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCC)c1F ZINC000169316014 EC Annotated Anodyne CCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCC)c1OC ZINC000169316019 EC Annotated Anodyne CCOC(=O)C(=O)Nc1ccc(F)c(NC(=O)C(=O)OCC)c1 ZINC000169316027 EC Annotated Anodyne CN1C(=O)C[C@@](CCNC(=O)/C=C\C(=O)O)(c2ccccc2)C1=O ZINC000169316447 EC Annotated Anodyne CN1C(=O)C[C@](CCNC(=O)/C=C\C(=O)O)(c2ccccc2)C1=O ZINC000169316448 EC Annotated Anodyne CN1C(=O)C[C@@](CCCNC(=O)/C=C\C(=O)O)(c2ccccc2)C1=O ZINC000169316454 EC Annotated Anodyne CN1C(=O)C[C@](CCCNC(=O)/C=C\C(=O)O)(c2ccccc2)C1=O ZINC000169316455 EC Annotated Anodyne CCOC(=O)c1cc(=O)c2cc(NC(=O)Cc3nnn[nH]3)ccc2o1 ZINC000169318369 EC Annotated Anodyne NCCNC1=C2C(=O)c3ccccc3C(=O)C2=C(NCCN)CC1 ZINC000169318794 EC Annotated Mild CC(=O)C1=C(O)/C(=C(\C)Nc2cc(O)c(O)c(O)c2)C(=O)OC1=O ZINC000169320188 EC Annotated Reactive O=C(Nc1nnn[nH]1)c1oc2ccccc2c(=O)c1NCCCO ZINC000169321674 EC Annotated Anodyne CCC(=O)NC[C@H]1[C@@H](C(=O)O)[C@@H](N)CN1C(=O)N(CC)C(C)C ZINC000169322282 EC Annotated Anodyne CCCSC[C@@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000169323035 EC Annotated Anodyne CCCSC[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000169323036 EC Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(C(F)(F)F)cn4[C@@H]3C[C@]21O ZINC000169326235 EC Annotated Anodyne COC1=C(OC)[C@@](O)(CCn2cc(-c3ccccc3)nn2)NC1=O ZINC000169328369 EC Annotated Anodyne COC1=C(OC)[C@](O)(CCn2cc(-c3ccccc3)nn2)NC1=O ZINC000169328370 EC Annotated Anodyne N=C(N)N/N=C/c1ccc(OCC2=CCc3no[n+]([O-])c3C2)cc1 ZINC000169328579 EC Annotated Mild N=c1ccn2c(n1)O[C@H]1[C@H](OC(=O)Cc3ccccc3)[C@@H](CO)O[C@H]12 ZINC000169328625 EC Annotated Anodyne CCS(=O)(=O)NCC#Cc1cn([C@@H]2CCCS2)c(=O)nc1N ZINC000169330456 EC Annotated Mild CCS(=O)(=O)NCC#Cc1cn([C@H]2CCCS2)c(=O)nc1N ZINC000169330459 EC Annotated Mild CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(Br)cn4[C@@H]3C[C@]21O ZINC000169331827 EC Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(Cl)c(Cl)n4[C@@H]3C[C@]21O ZINC000169331828 EC Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(C(F)(F)F)n4[C@@H]3C[C@]21O ZINC000169331837 EC Annotated Anodyne C[C@H]1C[C@H]([C@@H](O)C[C@@H]2CCC(=O)NC2=O)/C(=N\NC(N)=O)[C@H](C)C1 ZINC000169332450 EC Annotated Reactive C[C@@H]1C[C@H]([C@@H](O)C[C@@H]2CCC(=O)NC2=O)/C(=N\NC(N)=O)[C@H](C)C1 ZINC000169332452 EC Annotated Reactive CCN(Cc1c[n+]([O-])c2nc(N)nc(N)c2n1)c1ccc(OC)cc1 ZINC000169334031 EC Annotated Clean CNCc1cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169336160 EC Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cc(O)c(O)c(O)c2)C(=O)OC1=O ZINC000169336202 EC Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(N/C=N/N)c2)C(=O)OC1=O ZINC000169336545 EC Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(NC=O)cc2)C(=O)OC1=O ZINC000169336618 EC Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2ccccc2NC=O)C(=O)OC1=O ZINC000169336624 EC Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(NC=O)c2)C(=O)OC1=O ZINC000169336625 EC Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(NC(N)=O)cc2)C(=O)OC1=O ZINC000169336636 EC Annotated Reactive O=C(O)c1cc(=O)c2c(cc(C(=O)O)c3c(=O)cc(C(=O)O)[nH]c32)[nH]1 ZINC000169336978 EC Annotated Bother C=CCN1C(=O)CS/C1=N\N=C\c1ccc2c(c1)[n+]([O-])cc[n+]2[O-] ZINC000169338376 EC Annotated Mild C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+]([O-])c(C)c(C)[n+]2[O-] ZINC000169339915 EC Annotated Mild CN[C@@H]1[C@@H](O)[C@@]2(C)[C@@]3(CO3)[C@H]1O[C@@H]1C=C(C)CC[C@@]12COC(C)=O ZINC000169343581 EC Annotated Anodyne CN[C@@H]1[C@@H](O)[C@]2(C)[C@@]3(COC(C)=O)CCC(C)=C[C@@H]3O[C@@H]1[C@]21CO1 ZINC000169343585 EC Annotated Anodyne N#CC1=C(N)[C@H]2Cc3cc(O)c([C@@H]4COCCO4)cc3O[C@@H]2C=C1N ZINC000169344658 EC Annotated Reactive N#CC1=C(N)[C@H]2Cc3cc(O)c([C@H]4COCCO4)cc3O[C@@H]2C=C1N ZINC000169344659 EC Annotated Reactive CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(OC)cc1 ZINC000169353662 EC Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(OC)cc1 ZINC000169353663 EC Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(OC)cc1 ZINC000169353664 EC Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(OC)cc1 ZINC000169353665 EC Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(N(C)C)cc1 ZINC000169353682 EC Annotated Clean CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(N(C)C)cc1 ZINC000169353683 EC Annotated Clean CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(N(C)C)cc1 ZINC000169353684 EC Annotated Clean CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(N(C)C)cc1 ZINC000169353685 EC Annotated Clean COCn1c(C[C@@H](O)COCc2ccccc2)c(C)c(=O)[nH]c1=O ZINC000169353953 EC Annotated Anodyne COCn1c(C[C@H](O)COCc2ccccc2)c(C)c(=O)[nH]c1=O ZINC000169353954 EC Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@@H]2CCCN2C1=O)NCCO ZINC000169354673 EC Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]3O[C@@H](C=C3[C@@](O)(c3ccccc3)c3ccccn3)[C@@H]12 ZINC000169355289 EC Annotated Anodyne O=C1NC(=O)[C@H]2[C@H]1[C@@H]1C=C([C@@](O)(c3ccccc3)c3ccccn3)[C@@H]2O1 ZINC000169355290 EC Annotated Anodyne O=C1NC(=O)[C@@H]2[C@H]1[C@@H]1C=C([C@@](O)(c3ccccc3)c3ccccn3)[C@@H]2O1 ZINC000169355291 EC Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC(=O)N1CCCC[C@@H]1CCO ZINC000169355762 EC Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NC(=O)N1CCCC[C@@H]1CCO ZINC000169355763 EC Annotated Anodyne O=C(C[C@H]1C/C=C/CCC(=O)OC[C@H]2CCCN2C1=O)NCCO ZINC000169357074 EC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169357343 EC Annotated Anodyne CC[C@]1(C(=O)OC)N[C@@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169357344 EC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169357345 EC Annotated Anodyne N#C[C@@H]1C[C@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 ZINC000169358998 EC Annotated Mild CCOC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000169359329 EC Annotated Bother CCOC(=O)[C@H]1CC[C@@H]2[C@@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000169359330 EC Annotated Bother C[C@@H]1CO[C@@H]2C(CNC3CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362755 EC Annotated Mild C[C@@H]1CO[C@H]2C(CNC3CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362757 EC Annotated Mild COCC1=C2/C(=C/[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@@H]2O)OC1=O ZINC000169363962 EC Annotated Anodyne CC(C)C[C@@]1(O)NC(=O)[C@]2(OC(Cc3ccccc3)=CC2=O)[C@@H]1O ZINC000169370213 EC Annotated Mild CC(C)C[C@]1(O)NC(=O)[C@]2(OC(Cc3ccccc3)=CC2=O)[C@@H]1O ZINC000169370214 EC Annotated Mild C1CN([C@]23O[C@@]4(N5CCOCC5)[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]54)CCO1 ZINC000169574836 EC Annotated Anodyne C=C[C@](C)(CCC[C@@H](C)C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000169622849 EC Annotated Mild C=C[C@](C)(CCC[C@@H](C)C(=O)O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000169622850 EC Annotated Mild C=C[C@](C)(CCC[C@@H](C)C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169622851 EC Annotated Mild C=C[C@](C)(CCC[C@@H](C)C(=O)O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169622852 EC Annotated Mild COc1cc2c(cc1O)C(=O)O[C@H]1[C@@H]2[C@@H]2N(C)CC[C@@]23O[C@H]3[C@@H]1OC ZINC000169650583 EC Annotated Anodyne C=C(C)C#C[C@]12O[C@H]1[C@@H]1OC(C)(C)[C@H](OC(C)=O)C[C@@]13O[C@H]3[C@@H]2O ZINC000169671258 EC Annotated Mild O=C(CCCCC1CCCCC1)OC[C@@H](O)[C@@H]1OC(=O)[C@@H](O)C1=O ZINC000169684949 EC Annotated Anodyne O=C(CCCCC1CCCCC1)OC[C@H](O)[C@H]1OC(=O)[C@@H](O)C1=O ZINC000169684950 EC Annotated Anodyne Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1 ZINC000169688964 EC Annotated Clean O=C(N/N=C/[c-]1cccc([N+](=O)[O-])c1=O)[C@@H]1COc2ccccc2O1 ZINC000169689090 EC Annotated Reactive O=C(N/N=C/[c-]1cccc([N+](=O)[O-])c1=O)[C@H]1COc2ccccc2O1 ZINC000169689091 EC Annotated Reactive C=c1cc2[nH]c(=O)/c(=C\c3ccc(OCC)c(OC)c3)c(=N)n2o1 ZINC000169690689 EC Annotated Anodyne O=C(O)CNC(=O)Cc1sc(NNc2nc(O)cs2)nc1O ZINC000169692245 EC Annotated Anodyne O=c1ccc([N+](=O)[O-])c[c-]1/C=N/N=C1\NS(=O)(=O)c2ccccc21 ZINC000169693159 EC Annotated Mild C=C(C)Cn1c(O)c(CO)s/c1=N\N=c1/scc(O)n1C ZINC000169693538 EC Annotated Mild C=C(C)Cn1c(O)c(CO)s/c1=N/N=c1\scc(O)n1C ZINC000169693540 EC Annotated Mild C=CCn1c(O)c(CC(=O)O)s/c1=N\N=c1/scc(O)n1C ZINC000169693541 EC Annotated Mild C=CCn1c(O)c(CC(=O)O)s/c1=N/N=c1\scc(O)n1C ZINC000169693542 EC Annotated Mild COc1cc(=O)[c-](/C=N/NC(=O)c2ccncc2)c(OC)c1[N+](=O)[O-] ZINC000169693964 EC Annotated Reactive CCc1ncnc(N2CCNC(=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000169699820 EC Annotated Mild CNCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 ZINC000169704041 EC Annotated Anodyne CN(CCCN)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 ZINC000169704065 EC Annotated Anodyne O=C1N=CN=C2C(CN(Cc3ccccc3)C[C@@H](O)CO)=CN=C12 ZINC000169708416 EC Annotated Anodyne C=c1[nH]n(C(=O)c2ccccc2O)c(=O)/c1=C/c1ccc(OC)cc1 ZINC000169715656 EC Annotated Anodyne CN1CCN(CCCn2c(O)c3n(c2=O)Cc2ccccc2C3)CC1 ZINC000169718938 EC Annotated Anodyne CN1CCN(CCn2c(O)c3n(c2=O)Cc2ccccc2C3)CC1 ZINC000169718939 EC Annotated Anodyne O=P(O)(O)/C(=N\C12CC3CC(CC(C3)C1)C2)[PH](O)(O)O ZINC000169718957 EC Annotated Mild C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2ccc(F)cc12 ZINC000169719821 EC Annotated Anodyne C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2ccc(C#N)cc12 ZINC000169719823 EC Annotated Mild C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(F)c12 ZINC000169719824 EC Annotated Anodyne C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(C)c12 ZINC000169719834 EC Annotated Anodyne COC(=O)c1c(C#N)ccc(-n2c(O)c3n(c2=O)CC[C@H]3O)c1C ZINC000169719912 EC Annotated Mild O=C1C(=O)C(c2cc(O)c(O)c(O)c2)C(=O)C(=O)C1c1ccccc1 ZINC000169720904 EC Annotated Clean C=CCn1c2nc(-c3cc(OC)nn3C)nc-2c2n(c1=O)C[C@@H](C)N2 ZINC000169724894 EC Annotated Mild C=CCn1c2nc(-c3cc(OC)nn3C)nc-2c2n(c1=O)C[C@H](C)N2 ZINC000169724895 EC Annotated Mild O=C1O[C@H]([C@@H](O)COC(=O)c2cc(O)c3ccccc3n2)C(O)=C1O ZINC000169741239 EC Annotated Anodyne O=S(=O)(Nc1cccc(B(O)O)c1)c1cccc2c1NSN2 ZINC000169879866 EC Annotated Reactive CC(=O)c1sccc1S(=O)(=O)Nc1cccc(B(O)O)c1 ZINC000169879904 EC Annotated Reactive CC(C)C[C@H](NC(=O)CCn1ccc2ncccc2c1=O)B(O)O ZINC000169971082 EC Annotated Reactive CC(C)C[C@H](NC(=O)CCn1ccc2ccccc2c1=O)B(O)O ZINC000169971090 EC Annotated Reactive CCOC(=O)N1C[C@H](C)N(C[C@H](O)CN2CCOCC2)C[C@H]1C ZINC000017002041 EC Annotated Anodyne CCCCSC[C@@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000017024440 EC Annotated Anodyne CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1N[C@H]31 ZINC000017128124 EC Annotated Mild CC1=C(N2C[C@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1N[C@H]31 ZINC000017128127 EC Annotated Mild CC1=C(N2C[C@@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1N[C@H]31 ZINC000017128129 EC Annotated Mild COCN1C(=O)[C@@H]2CC(/C=C\C(N)=O)=CN2C(=O)c2ccccc21 ZINC000017190258 EC Annotated Anodyne CC[C@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000017214651 EC Annotated Clean CC[C@@]1(Cl)C(O)=NC(=O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000017214653 EC Annotated Clean CC[C@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000017214656 EC Annotated Clean CC[C@@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000017214659 EC Annotated Clean Nc1ccn(CCO[C@H](c2ccccc2)P(=O)(O)O)c(=O)n1 ZINC000017219188 EC Annotated Anodyne CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](/N=C(\NC#N)Oc3ccccc3)[C@@H]2O1 ZINC000017219799 EC Annotated Mild CC1(C)O[C@H]2[C@@H](CO)O[C@@H](/N=C(\NC#N)Oc3ccccc3)[C@@H]2O1 ZINC000017219804 EC Annotated Mild COC1(OC)CC(CO)(CNc2nc(N)nc(Cl)c2/C=N\O)C1 ZINC000017258587 EC Annotated Mild CCOC(=O)N1C[C@H](C)N(C[C@@H](O)CN2CCOCC2)C[C@@H]1C ZINC000017323067 EC Annotated Anodyne COC1=C/C(=c2/[nH]c3n(/c2=N\c2ccccc2)C=CNC=3)C=CC1=O ZINC000017951822 EC Annotated Mild O=C(CCCCC1CCCCC1)OC[C@@H](O)[C@H]1OC(=O)[C@@H](O)C1=O ZINC000018033825 EC Annotated Anodyne CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/CCCOC)CC1 ZINC000018097636 EC Annotated Anodyne O=C(CCCCC1CCCCC1)OC[C@H](O)[C@@H]1OC(=O)[C@@H](O)C1=O ZINC000018178545 EC Annotated Anodyne Cc1c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c(=O)n(C)c(=O)n1C ZINC000018179284 EC Annotated Anodyne O=C1C[C@H](c2ccccc2)N2N=C(NC(=O)[C@H]3CCCO3)NC2=N1 ZINC000018208850 EC Annotated Anodyne Cn1ncc(N2CCN(C(=O)c3cc(F)cc(C#N)c3)CC2)cc1=O ZINC000019147446 EC Annotated Mild Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCOCC2)cc1 ZINC000019211261 EC Annotated Anodyne CCOC(=O)c1csc(NC(=O)CCN2CCN(C)CC2)n1 ZINC000019365664 EC Annotated Anodyne Cc1c(C)c2c(c(N)c1C#N)C(=O)N(CCN1CCNCC1)C2=O ZINC000019367599 EC Annotated Mild CC[C@@]1(C(=O)OC)N[C@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019500802 EC Annotated Anodyne Cn1nc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)ccc1=O ZINC000019757575 EC Annotated Anodyne Cn1nc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)ccc1=O ZINC000019757578 EC Annotated Anodyne CCn1nnnc1NC(=O)NC[C@H](c1ccccn1)N1CCOCC1 ZINC000019838744 EC Annotated Anodyne CCn1nnnc1NC(=O)NC[C@@H](c1ccccn1)N1CCOCC1 ZINC000019838746 EC Annotated Anodyne C[C@@H](CCn1cccn1)NC(=O)Cn1ncc(N2CCCC2)cc1=O ZINC000019865469 EC Annotated Anodyne C[C@H](CCn1cccn1)NC(=O)Cn1ncc(N2CCCC2)cc1=O ZINC000019865473 EC Annotated Anodyne CC(C)n1ncc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)n1 ZINC000019865764 EC Annotated Anodyne Cc1n[nH]c(CCC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)c1C ZINC000019865792 EC Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N2N=Cc3c(F)cccc3B2O)cc1 ZINC000195048511 EC Annotated Bother Cc1ccc(S(=O)(=O)N2N=Cc3ccc(C(=O)O)cc3B2O)cc1 ZINC000195060473 EC Annotated Anodyne Cc1ccc2c(c1)C=NN(S(=O)(=O)c1ccc(N)cc1Cl)B2O ZINC000195068345 EC Annotated Anodyne N#CC1=C(N)[C@H]2Cc3cc(O)c([C@@H]4COCCO4)cc3O[C@H]2C=C1N ZINC000195071063 EC Annotated Reactive N#CC1=C(N)[C@H]2Cc3cc(O)c([C@H]4COCCO4)cc3O[C@H]2C=C1N ZINC000195071077 EC Annotated Reactive N#C[C@@H]1C[C@H]2C[C@@H]2N1C(=O)[C@H](N)C12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 ZINC000195098329 EC Annotated Mild Cc1ccc(S(=O)(=O)N2N=Cc3ccc(N(C)C)cc3B2O)cc1 ZINC000195131708 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3cc(N(C)C)ccc3B2O)cc1 ZINC000195137261 EC Annotated Anodyne O=C1NC(=O)[C@H]2[C@H]1[C@@H]1C=C([C@](O)(c3ccccc3)c3ccccn3)[C@@H]2O1 ZINC000195234356 EC Annotated Anodyne COC1=CC(=O)[C@@]2([C@@H](C)[C@@H](O)c3ccc(OC)c(O)c3)O[C@@H]2C1=O ZINC000195240806 EC Annotated Mild COC1=CC(=O)[C@@]2([C@H](C)[C@@H](O)c3ccc(OC)c(O)c3)O[C@@H]2C1=O ZINC000195240823 EC Annotated Mild Cc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000195277110 EC Annotated Anodyne Cc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000195277118 EC Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)NCc1ccco1 ZINC000195380011 EC Annotated Anodyne CN(C)/C=C1\SC(=S)N(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)C1=O ZINC000195393624 EC Annotated Clean CCc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000195401772 EC Annotated Anodyne CCc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000195401780 EC Annotated Anodyne CC1(C)O[C@H]2[C@H](CO)O[C@@H](N/C(=N/C#N)Oc3ccccc3)[C@@H]2O1 ZINC000195411176 EC Annotated Mild O=[N+]([O-])c1ccc(ON=[N+]([O-])N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000195473164 EC Annotated Clean O=C(O)[C@@H]1[C@@H]2C=C[C@]3(CN(C[C@@H](O)COc4ccccc4)C(=O)[C@@H]13)O2 ZINC000195476086 EC Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C=C[C@]3(CN(C[C@H](O)COc4ccccc4)C(=O)[C@@H]13)O2 ZINC000195476091 EC Annotated Anodyne C1CN([C@@]23O[C@]4(N5CCOCC5)[C@H]5[C@H]6C[C@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CCO1 ZINC000195497554 EC Annotated Anodyne C1CN([C@]23O[C@]4(N5CCOCC5)[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]54)CCO1 ZINC000195497558 EC Annotated Anodyne C1CN([C@@]23O[C@]4(N5CCOCC5)[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]54)CCO1 ZINC000195497560 EC Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](COC(=O)C=[N+]=[N-])[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000195515508 EC Annotated Clean CC1(C)O[C@H]2[C@H](COC(=O)C=[N+]=[N-])O[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000195515509 EC Annotated Clean CC1(C)O[C@@H]2O[C@H](COC(=O)C=[N+]=[N-])[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000195515511 EC Annotated Clean CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)C=[N+]=[N-])O[C@@H]1OC(C)(C)O[C@@H]21 ZINC000195515513 EC Annotated Clean CC(=O)OCC1=C2/C(=C/[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000195518958 EC Annotated Anodyne CC(=O)O[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000196436189 EC Annotated Anodyne C/C=C1/C[C@]2(CO)O[C@]2(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000196571379 EC Annotated Anodyne CC1=CC(=O)[C@@]2(C)[C@@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000197177696 EC Annotated Mild NC(N)=NCCCc1nc2oc(-c3ccccc3N)cc2[nH]c1=O ZINC000198633562 EC Annotated Mild Cc1ccc(S(=O)(=O)NC(=O)NN2CCC[C@H](O)CC2)cc1 ZINC000198830868 EC Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)NN2CCC[C@@H](O)CC2)cc1 ZINC000198830889 EC Annotated Anodyne COC(=O)C[C@H]1C=C[C@@H](NC(=O)Nc2c(C)noc2C)[C@@H](CO)O1 ZINC000199225321 EC Annotated Anodyne COC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000199225717 EC Annotated Anodyne COC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000199225900 EC Annotated Anodyne COC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2c(C)noc2C)[C@@H](CO)O1 ZINC000199226010 EC Annotated Anodyne CC[C@@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC(C)C ZINC000199238001 EC Annotated Anodyne CC[C@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC(C)C ZINC000199238017 EC Annotated Anodyne CCOC(=O)C[C@@H]1OC[C@H](CO)N1S(=O)(=O)c1ccc(C)cc1 ZINC000199246890 EC Annotated Anodyne C[C@@H]1CNCCN1c1ccc(N2CCS(=O)(=O)CC2)c(C#N)c1 ZINC000199267752 EC Annotated Mild C[C@H]1CNCCN1c1ccc(N2CCS(=O)(=O)CC2)c(C#N)c1 ZINC000199269344 EC Annotated Mild NC(=O)c1cc[n+](CCCN2C=CC(=CN=O)C=C2)cc1C(N)=O ZINC000199454338 EC Annotated Anodyne C#CCN1C[C@@]2(O)CC[C@@H](O)[C@@H](OC)[C@@H]2[C@@]1(C)[C@H](O)CC=C(C)C ZINC000199724142 EC Annotated Mild C[C@H]1CC(=O)O[C@H](C)[C@@H](O)/C=C/C(=O)O[C@H](C)[C@@H](O)/C=C/C(=O)O1 ZINC000199839012 EC Annotated Anodyne CCN(C)Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 ZINC000002010404 EC Annotated Reactive Cc1ncc(COP(=O)(O)O)c(CNc2co[nH]c2=O)c1O ZINC000002046808 EC Annotated Anodyne in-vivo Cc1ncc(COP(=O)(O)O)c(CNC(C)(C)C(=O)O)c1O ZINC000002046989 EC Annotated Anodyne in-vivo Cc1ncc(COP(=O)(O)O)c(CNC2(C(=O)O)CC2)c1O ZINC000002046991 EC Annotated Anodyne in-vivo CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCOCCO)cc1 ZINC000002465013 EC Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCOCCO)cc1 ZINC000002465014 EC Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCOCCO ZINC000002467849 EC Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCOCCO ZINC000002467851 EC Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(=O)N2 ZINC000002487778 EC Annotated Anodyne Cn1c(NCCO)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C ZINC000002488389 EC Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2cnccn2)C1 ZINC000002492954 EC Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2cnccn2)C1 ZINC000002492956 EC Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2cnccn2)C1 ZINC000002492958 EC Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2cnccn2)C1 ZINC000002492959 EC Annotated Mild CSCCc1nc2nc(N3CCN(C(C)=O)CC3)ccc2[nH]c1=O ZINC000002499751 EC Annotated Anodyne COc1cc2c(C(=O)N3CCN(C)CC3)cn(C)c(=O)c2cc1OC ZINC000020116033 EC Annotated Anodyne Cc1nc2sccn2c(=O)c1S(=O)(=O)NCc1ccncc1 ZINC000020177661 EC Annotated Anodyne CCn1cc(C2=NO[C@@H](C(=O)NCCN3CCOCC3)C2)c(C)n1 ZINC000020355847 EC Annotated Anodyne CCn1cc(C2=NO[C@H](C(=O)NCCN3CCOCC3)C2)c(C)n1 ZINC000020355848 EC Annotated Anodyne CCOC(=O)[C@@H]1CCCN(c2c(NC[C@@H]3CCCO3)c(=O)c2=O)C1 ZINC000020377923 EC Annotated Anodyne aggregator CCOC(=O)[C@H]1CCCN(c2c(NC[C@@H]3CCCO3)c(=O)c2=O)C1 ZINC000020377927 EC Annotated Anodyne aggregator CCOC(=O)N1CCN(c2c(NC[C@@H]3CCCO3)c(=O)c2=O)CC1 ZINC000020379057 EC Annotated Anodyne aggregator CCOC(=O)N1CCN(c2c(NC[C@H]3CCCO3)c(=O)c2=O)CC1 ZINC000020379061 EC Annotated Anodyne aggregator CCOC(=O)N1CCN(c2c(NCCCOC)c(=O)c2=O)CC1 ZINC000020379129 EC Annotated Anodyne Cc1cc(C)n(CCNc2nccc(-c3ncnn3C)n2)c(=O)n1 ZINC000020406868 EC Annotated Anodyne Cn1ncc(N2CCN(C(=O)c3onc4ccccc34)CC2)cc1=O ZINC000020450123 EC Annotated Anodyne CN(C)c1cnn(CC(=O)NCCCCc2ccccn2)c(=O)c1 ZINC000020450609 EC Annotated Anodyne O[C@H]1CN(Cc2cccn2-c2cccnc2)C[C@@H]1N1CCOCC1 ZINC000020451626 EC Annotated Anodyne OCc1cn(CC2CCN(c3nnnn3-c3ccccc3)CC2)nn1 ZINC000020451692 EC Annotated Anodyne CCCCc1nc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)c[nH]1 ZINC000020452142 EC Annotated Anodyne O=C(NCc1ccon1)Nc1nnc(CCN2CCOCC2)s1 ZINC000020452804 EC Annotated Anodyne Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1 ZINC000020454746 EC Annotated Anodyne Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1 ZINC000020454748 EC Annotated Anodyne CO[C@@H]1O[C@H](COc2nc(N)nc3nc[nH]c23)[C@H]2OC(C)(C)O[C@@H]12 ZINC000201303560 EC Annotated Anodyne CC1=NC=N/C1=C\NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000201463566 EC Annotated Reactive COCC(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000201464755 EC Annotated Anodyne COCC(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000201464784 EC Annotated Anodyne COC(=O)[C@]1([C@@H]2CCC(=O)O2)CC(=O)c2c(O)cc(CO)cc2O1 ZINC000201783556 EC Annotated Anodyne CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1N ZINC000201944159 EC Annotated Mild COc1nc(N2CCN(C)CC2)ncc1B1OC(C)(C)C(C)(C)O1 ZINC000203405682 EC Annotated Mild COC(=O)c1cc(Br)cnc1N1CC[C@H](N)[C@H](O)C1 ZINC000203454813 EC Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CC[C@@H](N)[C@H](O)C1 ZINC000203454818 EC Annotated Anodyne O=C(C1CC1)[C@]1(C(=O)N2CCOCC2)CC(c2ccccn2)=NO1 ZINC000203474200 EC Annotated Anodyne O=C(C1CC1)[C@@]1(C(=O)N2CCOCC2)CC(c2ccccn2)=NO1 ZINC000203474205 EC Annotated Anodyne CC(=O)N1CCN(C(=O)CSc2nc3cccnc3n2C)CC1 ZINC000203475369 EC Annotated Anodyne O=C1C=C(N2CCC[C@H]2C(=O)O)C(=O)C=C1N1CCC[C@H]1C(=O)O ZINC000203705456 EC Annotated Mild CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(C)CC1 ZINC000020531782 EC Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@@H]1CCCO1 ZINC000020531795 EC Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@H]1CCCO1 ZINC000020531796 EC Annotated Anodyne CCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2 ZINC000020531831 EC Annotated Anodyne COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000020533061 EC Annotated Anodyne COCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000020533062 EC Annotated Anodyne C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1nnnc1CN1CCOCC1 ZINC000020539826 EC Annotated Mild Cc1ncc(CO)c(CN2CCN(c3cnn(C)c(=O)c3)CC2)c1O ZINC000020598301 EC Annotated Anodyne CCc1ncc(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cn1 ZINC000020857446 EC Annotated Anodyne COc1cnc(N2CC(N3CCOCC3)C2)nc1-c1ccnn1C ZINC000020862933 EC Annotated Anodyne O[C@H]1CN(Cc2cccn2-c2nccs2)C[C@@H]1N1CCOCC1 ZINC000020906020 EC Annotated Anodyne O=C(Cn1nnnc1CN1CCc2ccccc2C1)N[C@@H]1CCOC1 ZINC000020908591 EC Annotated Anodyne O=C(Cn1nnnc1CN1CCc2ccccc2C1)N[C@H]1CCOC1 ZINC000020908594 EC Annotated Anodyne O=C(Cn1ncc(N2CCCCC2)cc1=O)NC[C@@H]1CCCOC1 ZINC000020919509 EC Annotated Anodyne O=C(Cn1ncc(N2CCCCC2)cc1=O)NC[C@H]1CCCOC1 ZINC000020919515 EC Annotated Anodyne C=C1[C@@H]2C[C@@H]3OC(=O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@](C2)([C@@H]3[C@]54O)[C@@H]1O ZINC000205073253 EC Annotated Mild COc1cc(O)c2c(c1O)C[C@]1(C)O[C@@H]1[C@@H](O)C[C@@]1(C)O[C@@H]1C2=O ZINC000205097449 EC Annotated Anodyne O=c1c2c(n(C3CC3)c3cc(N4CCNCC4)c(F)cc13)COB2O ZINC000205387861 EC Annotated Unstable COC(=O)N1CCC[C@@H](Oc2nc(-c3ccncn3)cc(=O)n2C)C1 ZINC000205413822 EC Annotated Anodyne COC(=O)N1CCC[C@H](Oc2nc(-c3ccncn3)cc(=O)n2C)C1 ZINC000205413838 EC Annotated Anodyne C[C@@H]1CN(CC(=O)N2CCc3ccc(S(C)(=O)=O)cc32)CCN1 ZINC000205474774 EC Annotated Anodyne OC[C@H](O)Cc1ccc(O)c(-c2cc(C[C@@H](O)CO)ccc2O)c1 ZINC000205498777 EC Annotated Anodyne COc1ccc(CCc2cc(=O)c3c(o2)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3O)cc1 ZINC000205669266 EC Annotated Anodyne C[C@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)CO ZINC000205787674 EC Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)CO ZINC000205787694 EC Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CO ZINC000205798430 EC Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CO ZINC000205798448 EC Annotated Mild CCCNC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000206065351 EC Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2Cc1cocn1 ZINC000206065842 EC Annotated Anodyne CC1(C)OB(c2c(OC3CC3)ccnc2S(N)(=O)=O)OC1(C)C ZINC000206127873 EC Annotated Mild CC1(C)OB(c2c(OC3CC3)cncc2S(N)(=O)=O)OC1(C)C ZINC000206127973 EC Annotated Mild CC1(C)OB(c2cc(OC3CC3)cnc2S(N)(=O)=O)OC1(C)C ZINC000206128209 EC Annotated Mild CC1(C)OB(c2cc(S(N)(=O)=O)ncc2OC2CC2)OC1(C)C ZINC000206128738 EC Annotated Mild CC1(C)OB(c2cc(OC3CC3)cc(S(N)(=O)=O)n2)OC1(C)C ZINC000206128980 EC Annotated Mild CC1(C)OB(c2ccc(OC3CC3)c(S(N)(=O)=O)n2)OC1(C)C ZINC000206129428 EC Annotated Mild CC1(C)OB(c2ccnc(S(N)(=O)=O)c2OC2CC2)OC1(C)C ZINC000206130312 EC Annotated Mild CC1(C)OB(c2cnc(S(N)(=O)=O)cc2OC2CC2)OC1(C)C ZINC000206130523 EC Annotated Mild CC1(C)OB(c2cnc(S(N)(=O)=O)c(OC3CC3)c2)OC1(C)C ZINC000206130562 EC Annotated Mild CC1(C)OB(c2cncc(OC3CC3)c2S(N)(=O)=O)OC1(C)C ZINC000206131891 EC Annotated Mild CC1(C)OB(c2cncc(S(N)(=O)=O)c2OC2CC2)OC1(C)C ZINC000206131973 EC Annotated Mild CC1(C)OB(c2nc(S(N)(=O)=O)ccc2OC2CC2)OC1(C)C ZINC000206132097 EC Annotated Mild CC1(C)OB(c2ncc(S(N)(=O)=O)cc2OC2CC2)OC1(C)C ZINC000206133140 EC Annotated Mild CC1(C)OB(c2cc(S(N)(=O)=O)c(OC3CC3)cn2)OC1(C)C ZINC000206133266 EC Annotated Mild CC1(C)OB(c2ncc(OC3CC3)cc2S(N)(=O)=O)OC1(C)C ZINC000206133388 EC Annotated Mild CC1(C)OB(c2cc(OC3CC3)c(S(N)(=O)=O)cn2)OC1(C)C ZINC000206133428 EC Annotated Mild CC1(C)OB(c2nccc(OC3CC3)c2S(N)(=O)=O)OC1(C)C ZINC000206133771 EC Annotated Mild CC1(C)OB(c2nccc(S(N)(=O)=O)c2OC2CC2)OC1(C)C ZINC000206133844 EC Annotated Mild CCOc1nc(N2CCN(C)CC2)ncc1B1OC(C)(C)C(C)(C)O1 ZINC000206196108 EC Annotated Mild Nc1ncnn2c(CN3CCNCC3)cc(-c3ccc(CO)cc3)c12 ZINC000206417699 EC Annotated Anodyne CC(C)N1CCN(C(=O)OC2CCN(c3ccc(=O)[nH]n3)CC2)CC1 ZINC000206786287 EC Annotated Anodyne O=C(OC1CCN(c2ccc(=O)[nH]n2)CC1)N1CCN(C2CC2)CC1 ZINC000206786342 EC Annotated Anodyne COCCN(C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)C1CC1 ZINC000207300188 EC Annotated Anodyne COCCN(C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)C1CC1 ZINC000207300233 EC Annotated Anodyne CC[C@@H]1CN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)CCO1 ZINC000207329670 EC Annotated Anodyne Cc1nnc(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)o1 ZINC000207364074 EC Annotated Anodyne Cc1nnc(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)o1 ZINC000207364161 EC Annotated Anodyne O=C1NC[C@@H](NC(=O)Nc2cccc(Br)c2)C(=O)N1 ZINC000210543711 EC Annotated Anodyne O=C1NC[C@H](NC(=O)Nc2cccc(Br)c2)C(=O)N1 ZINC000210543741 EC Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2nnc(Cc3ccccc3F)s2)NN1 ZINC000211853293 EC Annotated Anodyne O=C1CC[C@H](C(=O)Nc2nnc(Cc3ccccc3F)s2)NN1 ZINC000211853377 EC Annotated Anodyne Cc1nn2cnnc2c(C)c1CCC(=O)NCCN1CCOCC1 ZINC000021540650 EC Annotated Anodyne CCn1ncc(C2=NO[C@@H](C(=O)NCCN3CCOCC3)C2)c1C ZINC000021780541 EC Annotated Anodyne CCn1ncc(C2=NO[C@H](C(=O)NCCN3CCOCC3)C2)c1C ZINC000021780546 EC Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)CN1CCC(=O)NC1=O ZINC000215218227 EC Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)CN1CCC(=O)NC1=O ZINC000215218270 EC Annotated Anodyne NC(=O)c1cn2c(n1)-c1cc(C#C[C@]3(O)CCNC3)ccc1OCC2 ZINC000215737853 EC Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@@]3(O)CCNC3)ccc1OCC2 ZINC000215737896 EC Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)COC3)c(F)cc1OCC2 ZINC000215748241 EC Annotated Mild CN1C(=O)NC(=O)[C@@H]2CC[C@H](C(=O)Nc3nc(C4CC4)cs3)N[C@@H]21 ZINC000216474697 EC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2CC[C@H](C(=O)Nc3nc(C4CC4)cs3)N[C@H]21 ZINC000216474747 EC Annotated Anodyne Cc1cc(=O)n(C)c2c1C(=O)c1c(C)cc(=O)n3c1[C@@]2(O)C[C@]3(C)O ZINC000217626064 EC Annotated Anodyne CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C[C@@H](CO)O2 ZINC000219461627 EC Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C[C@H](CO)O2 ZINC000219482768 EC Annotated Mild COc1cc2c(C)c(CC(=O)NCCO)c(=O)oc2c(C=O)c1O ZINC000219851250 EC Annotated Anodyne COCCNC(=O)Cc1c(C)c2cc(OC)c(O)c(C=O)c2oc1=O ZINC000220392346 EC Annotated Anodyne C[C@@H]1CN(CCc2ccccc2)[C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2C1 ZINC000220976477 EC Annotated Anodyne CN1CCN(CCC(=O)N2CCc3c(ccc(O)c3C=O)C2)CC1 ZINC000221060788 EC Annotated Anodyne Cc1c(CC(=O)N2CCN(C)CC2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000221073050 EC Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC3)n2)cn1 ZINC000221158360 EC Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)C3)n2)cn1 ZINC000221203477 EC Annotated Anodyne COc1cc2c(C)c(CCC(=O)NCCO)c(=O)oc2c(C=O)c1O ZINC000221406978 EC Annotated Anodyne N#C[BH2-][n+]1ccc(C(=O)NNCc2cccc(C(F)(F)F)c2)cc1 ZINC000221565196 EC Annotated Reactive COc1ccc([C@H](C)NNC(=O)c2cc[n+]([BH2-]C#N)cc2)cc1F ZINC000221565498 EC Annotated Reactive COc1ccc([C@@H](C)NNC(=O)c2cc[n+]([BH2-]C#N)cc2)cc1F ZINC000221565560 EC Annotated Reactive N#C[BH2-][n+]1ccc(C(=O)NN[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000221566162 EC Annotated Reactive N#C[BH2-][n+]1ccc(C(=O)NN[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000221566219 EC Annotated Reactive COc1ccc([C@H](C)NNC(=O)c2cc[n+]([BH2-]C#N)cc2)cc1OC ZINC000221567796 EC Annotated Reactive COc1ccc([C@@H](C)NNC(=O)c2cc[n+]([BH2-]C#N)cc2)cc1OC ZINC000221567846 EC Annotated Reactive Cc1c(C[C@H](O)CO)n(COCC[Si](C)(C)C)c(=O)[nH]c1=O ZINC000221725760 EC Annotated Anodyne Cc1c(C[C@@H](O)CO)n(COCC[Si](C)(C)C)c(=O)[nH]c1=O ZINC000221725819 EC Annotated Anodyne CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(CO)C(=O)CC[C@@]3(O)[C@H]1C5 ZINC000222157352 EC Annotated Anodyne [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(NC3CC3)nc2=O)[C@@H](F)[C@@H]1O ZINC000222197396 EC Annotated Clean CC(C)Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2F)c(=O)n1 ZINC000222201924 EC Annotated Clean CC[C@@H](C)Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2F)c(=O)n1 ZINC000222202013 EC Annotated Clean CC[C@H](C)Nc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2F)c(=O)n1 ZINC000222202066 EC Annotated Clean NC(N)c1ccc(OCCOCCOc2ccc(C(N)N)cc2)cc1 ZINC000222319437 EC Annotated Anodyne O=c1nc(Oc2cnn(CCN3CCOCC3)c2)[nH]c2cnccc12 ZINC000222595518 EC Annotated Anodyne O=C(CNc1ncnc2nc[nH]c12)N[C@@H](Cc1ccccc1)C(=O)O ZINC000223294376 EC Annotated Anodyne Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)nc3)c12 ZINC000224957879 EC Annotated Anodyne CCc1ccc2c(c1)n(O)c(NCCCN1CCOCC1)n[n+]2=O ZINC000224998714 EC Annotated Anodyne OCCN1CCN2C=C([C@@H]3CCC[C@H]4N(CCO)CCN34)CC[C@H]21 ZINC000022860173 EC Annotated Anodyne Cc1noc(C)c1Cn1ncc(N2CCO[C@@H](CCN)C2)cc1=O ZINC000023128463 EC Annotated Anodyne Cc1noc(C)c1Cn1ncc(N2CCO[C@H](CCN)C2)cc1=O ZINC000023128464 EC Annotated Anodyne Cn1ncc(N2CC[C@@H](CNC(=O)CCn3cccn3)C2)cc1=O ZINC000023144914 EC Annotated Anodyne Cn1ncc(N2CC[C@H](CNC(=O)CCn3cccn3)C2)cc1=O ZINC000023144920 EC Annotated Anodyne CCn1ccnc1CNC(=O)Cn1ncc(N2CCCC2)cc1=O ZINC000023158962 EC Annotated Anodyne O=C(Cn1cnnn1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000023159605 EC Annotated Anodyne O=C(Cn1cnnn1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000023159608 EC Annotated Anodyne CCn1cc(NC(=O)Cn2cc(-c3cnn4cccnc34)cn2)nn1 ZINC000023214420 EC Annotated Anodyne Cc1nc([C@@H]2CCCN(C(=O)C(=O)Nc3cc(C)on3)C2)cc(=O)[nH]1 ZINC000023250745 EC Annotated Anodyne Cc1nc([C@H]2CCCN(C(=O)C(=O)Nc3cc(C)on3)C2)cc(=O)[nH]1 ZINC000023250746 EC Annotated Anodyne Cn1ncc(N2CC[C@@H](CNC(=O)C(=O)c3cccs3)C2)cc1=O ZINC000023251532 EC Annotated Anodyne Cn1ncc(N2CC[C@H](CNC(=O)C(=O)c3cccs3)C2)cc1=O ZINC000023251535 EC Annotated Anodyne Cn1ncc(N2CC[C@@H](CNC(=O)/C=C/c3cccnc3)C2)cc1=O ZINC000023337810 EC Annotated Anodyne Cn1ncc(N2CC[C@H](CNC(=O)/C=C/c3cccnc3)C2)cc1=O ZINC000023337811 EC Annotated Anodyne Cc1nc(=O)cc(CNS(=O)(=O)c2cc(F)c(F)cc2F)[nH]1 ZINC000023338489 EC Annotated Anodyne COc1ccc2c(c1)C=C(CN1C[C@H](O)[C@@H](N3CCOCC3)C1)CO2 ZINC000023360592 EC Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N[C@@H]2CCOC2)CC1 ZINC000023368053 EC Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N[C@H]2CCOC2)CC1 ZINC000023368057 EC Annotated Anodyne CN(CCN1CCOCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000023379977 EC Annotated Anodyne Cc1nc(CCNC(=O)c2cc(-c3cccn3C)[nH]n2)cc(=O)[nH]1 ZINC000023380475 EC Annotated Anodyne C[C@@H]1C[C@@H](CC(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)NC(=S)N1 ZINC000023431295 EC Annotated Anodyne CC(C)N1CCO[C@@H](CC(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000023431910 EC Annotated Anodyne CC(C)N1CCO[C@H](CC(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 ZINC000023431915 EC Annotated Anodyne Cc1nc(NC(=O)NCCN2CCC[C@@H](C(N)=O)C2)nn1C(C)C ZINC000023478560 EC Annotated Anodyne Cc1nc(NC(=O)NCCN2CCC[C@H](C(N)=O)C2)nn1C(C)C ZINC000023478562 EC Annotated Anodyne CCCn1cc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)nn1 ZINC000023478874 EC Annotated Anodyne C=C1[C@H]2CC[C@H]3[C@@]45C=C[C@@H](O)[C@@](C)(C(=O)O4)[C@@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000230082984 EC Annotated Mild in-man C=C1[C@@H]2CC[C@H]3[C@@]45C=C[C@@H](O)[C@@](C)(C(=O)O4)[C@@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000230082989 EC Annotated Mild in-man C=C1[C@H]2CC[C@@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@]4(C)C(=O)O[C@@]23C=C[C@H]4O)[C@@H]1O ZINC000230082994 EC Annotated Mild in-man C=C1[C@@H]2CC[C@@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@]4(C)C(=O)O[C@@]23C=C[C@H]4O)[C@@H]1O ZINC000230082998 EC Annotated Mild in-man CC(=O)O[C@@H]1C(=O)C(C)=CC[C@@]12[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000230098751 EC Annotated Mild in-man CC(=O)O[C@H]1C(=O)C(C)=CC[C@@]12[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000230098753 EC Annotated Mild in-man CC(=O)O[C@@H]1C(=O)C(C)=CC[C@]12[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000230098757 EC Annotated Mild in-man Cn1cc([C@@H](NC(=O)c2cccn3cnnc23)C2CC(O)C2)cn1 ZINC000230490257 EC Annotated Anodyne Cn1cc([C@H](NC(=O)c2cnn3ccn(C)c23)C2CC(O)C2)cn1 ZINC000230493376 EC Annotated Anodyne CN1N=C(C(=O)N[C@@H](Cc2ccccn2)C2CC(O)C2)CCC1=O ZINC000230516478 EC Annotated Anodyne O=C(NN1CCCCCC1)NS(=O)(=O)c1ccc(CO)cc1 ZINC000230545651 EC Annotated Anodyne Cn1cc([C@@H](NC(=O)c2nnc3n2CCCCC3)C2CC(O)C2)cn1 ZINC000230612060 EC Annotated Anodyne CC(=O)O[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000231166526 EC Annotated Anodyne CC(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000231166542 EC Annotated Anodyne C=C[C@@](C)(CCC[C@@H](C)C(=O)O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000231935897 EC Annotated Mild C=C[C@@](C)(CCC[C@H](C)C(=O)O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000231935902 EC Annotated Mild C=C[C@](C)(CCC[C@H](C)C(=O)O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000231935904 EC Annotated Mild O=C1CN(CC(=O)N2CCc3[nH]nc(CC4CCCC4)c3C2)C(=O)N1 ZINC000023541770 EC Annotated Anodyne Cc1nc(CNS(=O)(=O)c2c(C)nn(C)c2Cl)cc(=O)[nH]1 ZINC000023543865 EC Annotated Anodyne COC(=O)[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@]2(C(=O)OC)[C@H](C)CC[C@@]12C ZINC000238733250 EC Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(O)C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238733272 EC Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@@H](OC2=O)[C@H]2[C@H](C[C@@]3(C)O[C@@H]13)OC(=O)[C@@H]2C ZINC000238734077 EC Annotated Anodyne C[C@H]1CCN2C[C@]34C[C@]5(CC(=O)NC5=O)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000238734265 EC Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C[C@H](OC2=O)[C@H]2[C@H](C)C(=O)O[C@@H]2C[C@@]2(C)O[C@@H]12 ZINC000238734541 EC Annotated Anodyne COC[C@H](OC)[C@H](OC(C)=O)[C@H](OC)[C@H](COC)N(C)C(C)=O ZINC000238735701 EC Annotated Anodyne CC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](O)[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@H]3C ZINC000238736241 EC Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45C=C[C@H](O)[C@@](C)(C(=O)O4)[C@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000238738174 EC Annotated Mild CC(=O)N[C@@H](CS[C@@H]1CC(=O)O[C@H]1CCCCCO)C(=O)O ZINC000238739332 EC Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]12 ZINC000238741403 EC Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](O)/C(C=O)=C\CC[C@H]2O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238741559 EC Annotated Reactive CC(=O)OC[C@H]1O[C@]2(COC(C)=O)OC(C)(C)O[C@@H]2[C@H]1OC(C)=O ZINC000238742718 EC Annotated Anodyne C/C=C1/CC[C@@](C)(O)C(=O)OC[C@@]2(O)CCN3CC[C@@H](OC1=O)[C@H]32 ZINC000238743068 EC Annotated Anodyne CS[C@@]1(CO)NC(=O)[C@@](Cc2ccccc2O)(SC)NC1=O ZINC000238743938 EC Annotated Anodyne C[C@H]1C[C@@]2(O)C(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)[C@H]2C)[C@H]34 ZINC000238744272 EC Annotated Anodyne CO[C@@H]1[C@@]2(O)COC3=C(O)C(=O)C=C[C@]31c1cc(O)c(O)cc1C2 ZINC000238744341 EC Annotated Mild COC(=O)c1c(O)c2c(c(O)c1C(=O)OC)C(=O)C(OC)=CC2=O ZINC000238744736 EC Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]4C(=O)O[C@H](C(=O)[C@H]12)[C@@]43C ZINC000238745620 EC Annotated Mild CC(=O)O[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)C ZINC000238745663 EC Annotated Anodyne COc1ccc(CCc2cc(=O)c3c(o2)C[C@H](O)[C@@H](O)[C@H]3O)cc1O ZINC000238745830 EC Annotated Anodyne CCO[C@H](COC)[C@H](OC(C)=O)[C@H](OC)[C@H](COC(C)=O)OC ZINC000238745879 EC Annotated Anodyne CN1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(c(O)c4[C@H]3[C@@H]21)OCO5 ZINC000238746210 EC Annotated Anodyne CC1=CC(=O)[C@H](O)[C@]2(C)C1=CC(=O)[C@@]1(C)[C@H]2[C@H](O)[C@H]2OC(=O)[C@@H]1[C@@H]2C ZINC000238746830 EC Annotated Mild Cc1c(CCOC(=O)[C@@H](N)CCC(=O)O)c(CO)cc2c1C(=O)CC2 ZINC000238747033 EC Annotated Anodyne CC(=O)O[C@@H](C)[C@@H](/C=C/[C@@H]1O[C@@H]1[C@@H]1OC(=O)CC[C@@H]1O)OC(C)=O ZINC000238748063 EC Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2C=C1C(=O)O2 ZINC000238748679 EC Annotated Anodyne C=C[C@H]1OC(=O)C=C2C1=C[C@@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13 ZINC000238751026 EC Annotated Mild COc1c2c(cc3c1OCO3)[C@]13[C@H](O)CN(C2)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]13 ZINC000238751277 EC Annotated Anodyne CCOCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2O)OC1=O ZINC000238751278 EC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(C)=O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000238753670 EC Annotated Reactive C[C@H]1[C@@H](C)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O ZINC000238753707 EC Annotated Mild CC(=O)OC[C@]1(OC(C)=O)OC[C@H](OC(C)=O)[C@H]2OC(C)(C)O[C@H]21 ZINC000238753777 EC Annotated Anodyne C[C@H]1CCN2C[C@]34C[C@]5(CC(=O)N(C)C5=O)C(C)(C)[C@@H]3C[C@]12C(=O)N4 ZINC000238754124 EC Annotated Anodyne CC1=CC(=O)O[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]21 ZINC000238754393 EC Annotated Mild CC(=O)O[C@@H](C)[C@H](C[C@H](O)[C@@H]1O[C@@H]1[C@H]1CC=CC(=O)O1)OC(C)=O ZINC000238754574 EC Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]21 ZINC000238754692 EC Annotated Mild CC(=O)O[C@H]1C[C@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H]2C=C1C(=O)O2 ZINC000238756117 EC Annotated Anodyne C#C/C=C\C[C@H]1O[C@@H]([C@H](CC)OC(C)=O)C[C@H](O)[C@H](O)C[C@H]1O ZINC000238756302 EC Annotated Mild C=C[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@]213 ZINC000238756564 EC Annotated Mild C=C1CC[C@H](OC)C(O)=C1C(=O)[C@]1(C)NC(=O)CC[C@@H](N)C(=O)O1 ZINC000238756827 EC Annotated Mild C=C(CCO)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(C)=O)[C@H]1C(C)C ZINC000238756918 EC Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1C(=O)C=C(C)[C@]21O ZINC000238757040 EC Annotated Mild O=C(O)c1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000238758006 EC Annotated Clean CC(=O)O[C@H]1C[C@@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@H]2C=C1C(=O)O2 ZINC000238758250 EC Annotated Anodyne CO[C@@H]1C2=C([C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@]2(C)OC)[C@@](C)(O)[C@H]1O ZINC000238758798 EC Annotated Anodyne COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2O)OC1=O ZINC000238759123 EC Annotated Anodyne C=C1C[C@H](O)[C@H]2[C@H](CS(C)(=O)=O)C(=O)O[C@@H]2[C@H]2[C@H](C)C(=O)C[C@@H]12 ZINC000238759406 EC Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H]3CC(C)(C)[C@H]3[C@H](O)[C@]2(O)[C@H](C)[C@@H]1O ZINC000238759855 EC Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@]3(COC(C)=O)[C@@H]4O[C@@H](O[C@H]4O)C(=C)[C@@H]3C[C@@H]12 ZINC000238759920 EC Annotated Mild CC[C@H](O)[C@@H]1C=CC[C@@H]2CC(=O)NCCCCN(C=O)CCCN12 ZINC000238761029 EC Annotated Anodyne CC[N+]12CC[C@H](COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@H]1[C@H](O)CC2 ZINC000238761084 EC Annotated Bother C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)C[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238761114 EC Annotated Mild CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC2=O)[C@@H]2[C@H](C[C@@]3(C)O[C@@H]13)OC(=O)[C@H]2C ZINC000238762011 EC Annotated Anodyne CC1=C[C@]23C(=O)[C@@H](C=C(CO)C[C@]2(O)[C@H]1O)[C@@H]1C(C)(C)[C@]1(O)C[C@H]3C ZINC000238762143 EC Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@H](O)[C@@H](OC)[C@H](O)C3=CCN(C2)[C@H]31 ZINC000238762438 EC Annotated Anodyne COC(=O)[C@]1([C@H]2OC(=O)[C@@H](O)[C@@H]2C)CC(=O)c2c(O)cccc2O1 ZINC000238762804 EC Annotated Anodyne CN1C(=O)C[C@]2(C[C@@]34CN5CCC[C@]5(C[C@H]3C2(C)C)C(=O)N4C)C1=O ZINC000238763138 EC Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)C[C@@H](COC(C)=O)[C@]1(O)CCC(=O)[C@@]21C ZINC000238763295 EC Annotated Mild CC(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000238763592 EC Annotated Anodyne CC(C)[C@H](Cc1ccccc1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238764454 EC Annotated Anodyne CN1[C@H]([C@@H]2SSC[C@@H]2O)CC[C@@H]1[C@@H]1S[S@@](=O)C[C@@H]1O ZINC000238764556 EC Annotated Reactive COc1c2c(cc3c1OCO3)[C@@]13[C@H](C[C@@H](OC)[C@@H]4O[C@@H]41)N(C2)C[C@@H]3O ZINC000238765774 EC Annotated Anodyne CCC[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000238765806 EC Annotated Anodyne C/C=C1\C[C@]2(CO2)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000238765940 EC Annotated Anodyne CC(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)C ZINC000238766250 EC Annotated Anodyne C/C=C1/C[C@]2(CO2)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000238766254 EC Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@]1(C)O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000238766732 EC Annotated Anodyne CC1=CC(=O)[C@H](O)[C@@]2(C)[C@@H]3[C@H](O)[C@H]4OC(=O)[C@H]([C@@H]4C)[C@@]3(C)C(=O)C[C@H]12 ZINC000238766792 EC Annotated Mild CC1=C[C@@H](O)[C@H](O)[C@]2(C)C1=CC(=O)[C@@]1(C)[C@H]2[C@H](O)[C@H]2OC(=O)[C@@H]1[C@@H]2C ZINC000238766869 EC Annotated Mild C[C@]1(C(=O)O)[C@H]2C[C@]34CC(=O)[C@](O)(CC[C@H]3[C@]2(C=O)CC[C@H]1O)C4 ZINC000238767112 EC Annotated Mild CC(=O)O[C@H]1C[C@@H](O)[C@]2(C)CCC3=C(CO)C(=O)O[C@@H]3[C@H]2[C@]1(C)O ZINC000238767376 EC Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@]1(O)[C@H](O)CO[C@@H]1O2 ZINC000238767815 EC Annotated Anodyne COCC1=C2[C@@H](O)C[C@@]3(C)O[C@@]2(C[C@](C)(O)CCC3=O)OC1=O ZINC000238768054 EC Annotated Anodyne C/C=C1/CO[C@@H]2CCN3C[C@@H](O)[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000238768288 EC Annotated Anodyne COc1c2c(cc3c1[C@@H]1[C@H](O[C@@H]3O)[C@@H](O)C=C3CCN(C)[C@H]31)OCO2 ZINC000238768475 EC Annotated Anodyne COc1ccc(C)c(C(=O)[C@]2(C)NC(=O)CC[C@@H](N)C(=O)O2)c1O ZINC000238769457 EC Annotated Anodyne CO[C@@H]1C(=O)CC[C@]2(O)C[S@@](=O)[C@H](CC=C(C)C)[C@](C)(O)[C@@]12O ZINC000238770361 EC Annotated Anodyne CSCCCCC(=N)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238770633 EC Annotated Anodyne CSCCCCCC(=N)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238770662 EC Annotated Anodyne COc1ccc(CCc2cc(=O)c3c(o2)C[C@H](O)[C@@H](O)[C@H]3O)cc1 ZINC000238770711 EC Annotated Anodyne COc1cc(C2=CC(=O)[C@H]3[C@H](C[C@@H](O)[C@@H](OC)[C@H]3O)O2)ccc1O ZINC000238771175 EC Annotated Mild COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@H]1[C@H](O)CO[C@@H]1O2 ZINC000238771283 EC Annotated Anodyne CO[C@@H]1[C@@H](O)[C@H]2c3cc4c(cc3C[N+]3([O-])CC=C([C@H]23)[C@H]1O)OCO4 ZINC000238771414 EC Annotated Bother C=C1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@](C)(O)[C@]4(CO4)[C@H]1C)[C@@H]23 ZINC000238771850 EC Annotated Mild COC1=C[C@@]23CCCN2CCc2cc4c(cc2[C@@]3(O)[C@H]1O)OCO4 ZINC000238772273 EC Annotated Anodyne CCCCO[C@@]12CO[C@H](c3ccc(CO)o3)O[C@@H]1[C@@H](O)[C@H](CO)O2 ZINC000238772577 EC Annotated Anodyne COc1cc(OC)c2c(c1O)C(=O)[C@H]1C[C@@](O)(OC)OC[C@H]1C2=O ZINC000238773825 EC Annotated Clean CC1=CC(=O)[C@@]2(C)C1=CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@@H]23 ZINC000238773831 EC Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@H](O)[C@H](C)O)[C@H]12 ZINC000238774335 EC Annotated Anodyne CN1C(=O)c2cc(C(N)=O)nc3c(N)c(Br)c(N)c1c23 ZINC000238775115 EC Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4C(=O)C[C@@]2(O)CN[C@H]3C1)OCO5 ZINC000238775219 EC Annotated Anodyne CC(=O)NC(=N)N(CCCc1cn2cccc2c(=O)n1C)C(C)=O ZINC000238775770 EC Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@@H](C)C[C@H]2O)OC1=O ZINC000238775890 EC Annotated Anodyne O=C(c1ccc(O)c(O)c1)[C@@H](O)C[C@@]1(c2ccc(O)c(O)c2)O[C@@H]1O ZINC000238775933 EC Annotated Clean CC(=O)O[C@@H]1C=C(CO)C(=O)[C@@H](OC(=O)/C(C)=C/CO)[C@@H]1C(C)C ZINC000238776168 EC Annotated Mild CC(=O)OCC1=C2[C@@H](/C=C(\C)CCC(=O)[C@@H](C)[C@@H](O)[C@@H]2O)OC1=O ZINC000238776354 EC Annotated Anodyne C=C(C)[C@@H]1CC(=O)C[C@H](O)[C@]2(O)[C@H]3C[C@@](C)(O)[C@H]4OC(=O)C(=C[C@@H]12)[C@@H]34 ZINC000238776625 EC Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@]3(C)C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 ZINC000238777263 EC Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@H]3C)[C@H](O)[C@H]21 ZINC000238778080 EC Annotated Mild COC1=CC2=CC3=c4c(c5c(c(CO)c4=CCN3C)OCO5)[C@@H]2C=C1 ZINC000238779005 EC Annotated Anodyne CO[C@@H]1[CH][CH][C@@H]2[C@@H]3CCN4C(=O)[C@H]5[CH][CH][CH][CH][C@H]5N[C@@H]4[C@@H]3N[C@@H]2[CH]1 ZINC000238779279 EC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000238782283 EC Annotated Reactive COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)[C@@H](O)C[C@H](CC(C)=O)O1 ZINC000238782588 EC Annotated Mild COc1ccc(CCc2cc(=O)c3c(o2)[C@H](O)[C@@H](O)[C@H]2O[C@@H]32)cc1O ZINC000238782756 EC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@H]2CO[C@H](O)[C@H]21)COC3=O ZINC000238782855 EC Annotated Mild CC(=O)O[C@H]1c2cc3c(cc2[C@@]24C=C[C@H](O)C[C@@H]2N1C[C@H]4O)OCO3 ZINC000238783746 EC Annotated Anodyne CC(=O)O[C@H]1C(=O)C=C(C)[C@H]2CC3=C(C)C(=O)O[C@]3(O)[C@H](O)[C@@]21C ZINC000238783778 EC Annotated Mild COC(=O)[C@H](O)Cc1cc(O)c(O)cc1C(=O)c1ccc(O)c(O)c1 ZINC000238785263 EC Annotated Clean C=C1[C@@H]2OC[C@]3(O)[C@@H](OC(C)=O)C[C@@]1(O)[C@@H]3[C@H](OCCC(C)C)O2 ZINC000238785390 EC Annotated Mild C[C@@]1(CO)[C@H]2CC=C3C[C@H](C(O)(CO)CO)CC[C@H]3[C@@H]2CC[C@H]1O ZINC000238786106 EC Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@@H]3O[C@@]34CC[N+]([O-])(C2)[C@@H]14 ZINC000238786283 EC Annotated Bother COC(=O)[C@H](OC(=O)/C=C/c1ccc(O)cc1)[C@@H]1CC(=O)OC1=O ZINC000238786473 EC Annotated Reactive O=C(O)/C=C/C1=C[C@@H]2[C@H](c3ccc(O)c(O)c3)[C@H]3C(=O)O[C@@H]([C@@H]2O)[C@@H]13 ZINC000238788965 EC Annotated Clean CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(CC(=O)OCC)C(=O)[C@H]13)O2 ZINC000245380893 EC Annotated Anodyne CCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CC(=O)OCC)C(=O)[C@H]13)O2 ZINC000245380894 EC Annotated Anodyne O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(C[C@H](O)COc4ccccc4)C(=O)[C@H]13)O2 ZINC000247751771 EC Annotated Anodyne O=C(O)[C@H]1[C@@H]2C(=O)N(C[C@H](O)COc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000247751773 EC Annotated Anodyne O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(C[C@@H](O)COc4ccccc4)C(=O)[C@H]13)O2 ZINC000247751775 EC Annotated Anodyne CCn1ccnc1CN1CCN(CCCS(C)(=O)=O)C[C@H]1C ZINC000249686010 EC Annotated Anodyne CSCCc1nc2nc(N3CC[C@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000002500230 EC Annotated Anodyne CSCCc1nc2nc(N3CC[C@@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000002500232 EC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCC2)[C@H]3C1=O ZINC000250479189 EC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2CCCC2)[C@H]3C1=O ZINC000250479193 EC Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2c(NC[C@H]3CCCO3)c(=O)c2=O)C1 ZINC000250706756 EC Annotated Anodyne aggregator CCOC(=O)[C@@H]1CCCN(c2c(NC[C@H]3CCCO3)c(=O)c2=O)C1 ZINC000250706759 EC Annotated Anodyne aggregator CCO[P@](=O)(O)C[C@H](OCn1cc(C)c(O)nc1=O)[C@H](C)O ZINC000253634684 EC Annotated Anodyne CN[C@@H]1[C@@H](O)[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@H]1C=C(C)CC[C@@]12COC(C)=O ZINC000253637862 EC Annotated Anodyne CN[C@@H]1[C@@H](O)[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)CC[C@@]12COC(C)=O ZINC000253637865 EC Annotated Anodyne C[N+](C)(C)CC(=O)NCC(=O)NCC[N@@+]1(C)CCc2ccccc2C1 ZINC000253648685 EC Annotated Mild C[N+](C)(C)CC(=O)NCC(=O)NCC[N@+]1(C)CCc2ccccc2C1 ZINC000253648689 EC Annotated Mild O=C1NC(=O)[C@H]2[C@@H]3C=C([C@](O)(c4ccccc4)c4ccccn4)[C@H](O3)[C@@H]12 ZINC000253656152 EC Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]3C=C([C@@](O)(c4ccccc4)c4ccccn4)[C@H](O3)[C@@H]12 ZINC000253656156 EC Annotated Anodyne CO[C@@H]1OC[C@@H]2OC(C)(C)O[C@@H]2[C@]1(F)CCn1ccc(O)nc1=O ZINC000253663489 EC Annotated Anodyne CO[C@@H]1OC[C@@H]2OC(C)(C)O[C@H]2[C@]1(F)CCn1ccc(O)nc1=O ZINC000253663491 EC Annotated Anodyne COC1=CC(=O)[C@]2([C@H](C)[C@H](O)c3ccc(OC)c(O)c3)O[C@H]2C1=O ZINC000253685395 EC Annotated Mild in-vitro COC1=CC(=O)[C@]2([C@H](C)[C@@H](O)c3ccc(OC)c(O)c3)O[C@H]2C1=O ZINC000253685406 EC Annotated Mild in-vitro O=c1nc(O)c(/C=C/Br)cn1C[C@H](CO)[C@@H]1C[C@H]1O ZINC000253694600 EC Annotated Anodyne O=c1nc(O)c(/C=C/Br)cn1C[C@H](CO)[C@H]1C[C@H]1O ZINC000253694605 EC Annotated Anodyne CC(=O)OC[C@@H]1OC=C[C@H](n2ccnc2[N+](=O)[O-])[C@H]1OC(C)=O ZINC000253695862 EC Annotated Bother COC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000253713829 EC Annotated Anodyne COC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253713834 EC Annotated Anodyne COC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@H]1O ZINC000253713838 EC Annotated Anodyne COC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000253713840 EC Annotated Anodyne COc1ccc(S(=O)(=O)NN=Cc2cccc[n+]2[O-])cc1OC ZINC000253777017 EC Annotated Mild CCOC(=O)[C@@H]1CC[C@@H]2[C@H](C1)N2C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000253853618 EC Annotated Bother CCOC(=O)[C@@H]1CC[C@@H]2[C@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000253853620 EC Annotated Bother C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000253920619 EC Annotated Anodyne C[C@@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)CCC[C@H]1C ZINC000253920621 EC Annotated Anodyne C[C@H]1C[C@@H](C)C[C@@H]([C@H](O)C[C@H]2CCC(=O)NC2=O)C1=NNC(N)=O ZINC000254010556 EC Annotated Reactive C[C@H]1C[C@@H](C)C[C@@H]([C@@H](O)C[C@@H]2CCC(=O)NC2=O)C1=NNC(N)=O ZINC000254010558 EC Annotated Reactive C[C@H]1C[C@@H](C)C[C@@H]([C@@H](O)C[C@H]2CCC(=O)NC2=O)C1=NNC(N)=O ZINC000254010562 EC Annotated Reactive CC1(C)O[C@@H]2O[C@H](COC(=O)C=[N+]=[N-])[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000254079920 EC Annotated Clean CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COC(=O)C=[N+]=[N-] ZINC000254079921 EC Annotated Clean COC[C@@H]1O[C@H](S(=O)(=O)c2ccccc2)[C@H](O)[C@H](OC)[C@H]1OC ZINC000254114664 EC Annotated Anodyne COC[C@@H]1O[C@H](S(=O)(=O)c2ccccc2)[C@H](O)[C@@H](OC)[C@@H]1OC ZINC000254114671 EC Annotated Anodyne COC[C@@H]1O[C@H](S(=O)(=O)c2ccccc2)[C@H](O)[C@H](OC)[C@@H]1OC ZINC000254114674 EC Annotated Anodyne COC[C@@H]1O[C@H](S(=O)(=O)c2ccccc2)[C@H](O)[C@@H](OC)[C@H]1OC ZINC000254114676 EC Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)[N@+](C)(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000254133053 EC Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)[N@@+](C)(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000254133057 EC Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)[N@@+](C)(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000254133060 EC Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)[N@+](C)(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000254133063 EC Annotated Bother CC1(C)O[C@@H]2[C@@H](N/C(=N/C#N)Oc3ccccc3)O[C@@H](CO)[C@H]2O1 ZINC000254194050 EC Annotated Mild CC1(C)O[C@@H]2[C@H](N/C(=N/C#N)Oc3ccccc3)O[C@@H](CO)[C@H]2O1 ZINC000254194051 EC Annotated Mild OCCN1CCN2[C@H](C3=CN4CCN(CCO)[C@H]4CC3)CCC[C@@H]12 ZINC000254224209 EC Annotated Anodyne OCCN1CCN2C=C([C@@H]3CCC[C@@H]4N(CCO)CCN34)CC[C@@H]21 ZINC000254224210 EC Annotated Anodyne C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]4(CO4)[C@@H]1C)[C@@H]23 ZINC000254239051 EC Annotated Mild C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]4(CO4)[C@H]1C)[C@@H]23 ZINC000254239052 EC Annotated Mild C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]4(CO4)[C@@H]1C)[C@H]23 ZINC000254239053 EC Annotated Mild C=CCN1C(=NC(=O)CCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254744542 EC Annotated Mild C=CCN1C(=NC(=O)CCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254744544 EC Annotated Mild C=CCN1C(=NC(=O)CCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254744546 EC Annotated Mild C=CCN1C(=NC(=O)CCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254744548 EC Annotated Mild C=CCN1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254753194 EC Annotated Mild C=CCN1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254753195 EC Annotated Mild C=CCN1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254753196 EC Annotated Mild C=CCN1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254753197 EC Annotated Mild C=C1[C@@H]2[C@@H](O)[C@@H]3[C@]4(C[C@H]5[C@H]6[C@@]37CCC[C@@]6(C)CN5[C@@H]7[C@H]4[C@H]2O)[C@@H]1O ZINC000255196706 EC Annotated Mild C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](O)[C@@H](O)[C@]57[C@@H]([C@H]2C[C@H]1C[C@]37O)N4[C@H]6O ZINC000255209753 EC Annotated Mild C=C1C[C@]23[C@H](O)[C@H]4[C@H]5[C@]67CCC[C@@]5(C)CN4[C@@H]6[C@H]2[C@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000255227084 EC Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CC[C@@H](O)[C@]47[C@H](C2)[C@]3([C@H](O)[C@H]5[C@@H]76)[C@@H]1O ZINC000255271495 EC Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5[C@@H]6[C@@H]7[C@](C)(CCC[C@@]74[C@H]([C@@H]2O)[C@]3([C@@H]6O)[C@@H]1O)[C@H]5O ZINC000255283566 EC Annotated Mild C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2C(=O)[C@H]1[C@H](O)[C@@H]73 ZINC000255285122 EC Annotated Mild O=c1ccc2cc3ccoc3c(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c2o1 ZINC000257432323 EC Annotated Anodyne O=c1ccc2cc3ccoc3c(O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)c2o1 ZINC000257432324 EC Annotated Anodyne O=c1ccc2cc3ccoc3c(O[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000257432325 EC Annotated Anodyne C/C=C1\C[C@]2(CO)O[C@]2(C)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000257495206 EC Annotated Anodyne C/C=C1\C[C@]2(CO)O[C@]2(C)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000257495207 EC Annotated Anodyne CC(=O)O[C@@H]1C(=O)C(C)=CC[C@]12[C@@H]1[C@H](C)COC(=O)[C@@H]1O[C@]2(C)O ZINC000257530345 EC Annotated Mild CC(=O)O[C@@H]1C(=O)C(C)=CC[C@]12[C@@H]1[C@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000257530346 EC Annotated Mild CC(=O)O[C@@H]1C(=O)C(C)=CC[C@]12[C@@H]1[C@H](C)COC(=O)[C@H]1O[C@]2(C)O ZINC000257530347 EC Annotated Mild CC(=O)O[C@@H]1C(=O)C(C)=CC[C@]12[C@@H]1[C@H](C)COC(=O)[C@H]1O[C@@]2(C)O ZINC000257530348 EC Annotated Mild C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)CC(=O)C[C@]57[C@H]2[C@@H](O)[C@@H]1[C@@H](O)[C@@H]3[C@H]7N4C6 ZINC000257592060 EC Annotated Mild C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)CC(=O)C[C@]57[C@H]2[C@H](O)[C@@H]1[C@@H](O)[C@@H]3[C@H]7N4C6 ZINC000257592061 EC Annotated Mild C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)CC(=O)C[C@]57[C@H]2[C@H](O)[C@@H]1[C@H](O)[C@@H]3[C@H]7N4C6 ZINC000257592062 EC Annotated Mild C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)CC(=O)C[C@]57[C@H]2[C@@H](O)[C@@H]1[C@H](O)[C@@H]3[C@H]7N4C6 ZINC000257592063 EC Annotated Mild C=C[C@@H]1C2=C(C(=O)NCC2)[C@@H]2O[C@H](O)C3=C(CCNC3=O)[C@H]2[C@@H]1C ZINC000257736935 EC Annotated Mild C=C[C@@H]1C2=C(C(=O)NCC2)[C@@H]2O[C@H](O)C3=C(CCNC3=O)[C@H]2[C@H]1C ZINC000257736936 EC Annotated Mild C=C[C@@H]1C2=C(C(=O)NCC2)[C@@H]2O[C@H](O)C3=C(CCNC3=O)[C@@H]2[C@H]1C ZINC000257736937 EC Annotated Mild C=C[C@@H]1C2=C(C(=O)NCC2)[C@@H]2O[C@H](O)C3=C(CCNC3=O)[C@@H]2[C@@H]1C ZINC000257736938 EC Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@@H]1O)[C@H](C(=O)O)[C@H]1[C@]2(C)C(=O)O[C@@]13C=C[C@@H]2O ZINC000257777113 EC Annotated Mild in-man endogenous C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@]2(C)C(=O)O[C@@]13C=C[C@@H]2O ZINC000257777114 EC Annotated Mild in-man endogenous C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@H](C(=O)O)[C@H]1[C@]2(C)C(=O)O[C@@]13C=C[C@@H]2O ZINC000257777115 EC Annotated Mild in-man endogenous C=C1[C@H]2CC[C@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@]4(C)C(=O)O[C@@]23C=C[C@@H]4O)[C@@H]1O ZINC000257777116 EC Annotated Mild in-man endogenous CCNc1ncnc2c1c(Br)cn2COC(CO)CO ZINC000026149836 EC Annotated Anodyne CNc1ncnc2c1c(Br)cn2COC(CO)CO ZINC000026153147 EC Annotated Anodyne CCC[S@@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026153155 EC Annotated Anodyne CCC[S@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026153163 EC Annotated Anodyne Cn1c2nc(=O)n(CCCS)c(=O)c-2nc2ccc(C#N)cc21 ZINC000026161217 EC Annotated Mild O=C(CCc1ccccc1)N[C@H](Cn1cncn1)CP(=O)(O)O ZINC000026170890 EC Annotated Anodyne O=C(CCc1ccccc1)N[C@@H](Cn1cncn1)CP(=O)(O)O ZINC000026170894 EC Annotated Anodyne O=C(Cc1cccs1)N[C@H](Cn1cncn1)CP(=O)(O)O ZINC000026184459 EC Annotated Anodyne O=C(Cc1cccs1)N[C@@H](Cn1cncn1)CP(=O)(O)O ZINC000026184463 EC Annotated Anodyne CC[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CCNC3)S[C@H]12 ZINC000026248345 EC Annotated Anodyne CCNc1cc(-c2nc(CCC/N=C(\NC)NC#N)n[nH]2)ccn1 ZINC000026266708 EC Annotated Mild CN(NS(C)(=O)=O)S(=O)(=O)c1ccc(Br)cc1 ZINC000026270513 EC Annotated Anodyne C[C@H]1C(/C=C/c2cc[n+](C)cc2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026274186 EC Annotated Anodyne C[C@H]1C(/C=C/c2cccc[n+]2C)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026275056 EC Annotated Clean C[C@H]1C(/C=C/c2ccc[n+](C)c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026285353 EC Annotated Anodyne CC(C)(C)OC(=O)[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(C(C)(C)C)O[C@H]12 ZINC000026286005 EC Annotated Anodyne CC(C)(C)OC(=O)[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(C(C)(C)C)O[C@H]12 ZINC000026288864 EC Annotated Anodyne CCOC(=O)c1c(N2CCN(C)CC2)c2cccnc2n(C)c1=O ZINC000026384052 EC Annotated Anodyne O=C(O)CCNC(=O)[C@@H]1CCCN(C(=O)OCC2CCNCC2)C1 ZINC000026402587 EC Annotated Anodyne O=C(O)CCNC(=O)[C@H]1CCCN(C(=O)OCC2CCNCC2)C1 ZINC000026402591 EC Annotated Anodyne CC(=O)OC[C@@H]1OC=C[C@@H](n2ccnc2[N+](=O)[O-])[C@@H]1OC(C)=O ZINC000026404750 EC Annotated Bother CC(=O)OC[C@H]1OC=C[C@@H](n2ccnc2[N+](=O)[O-])[C@@H]1OC(C)=O ZINC000026404753 EC Annotated Bother CC(=O)OC[C@@H]1OC=C[C@H](n2ccnc2[N+](=O)[O-])[C@@H]1OC(C)=O ZINC000026404755 EC Annotated Bother CC(=O)OC[C@H]1OC=C[C@H](n2ccnc2[N+](=O)[O-])[C@@H]1OC(C)=O ZINC000026404758 EC Annotated Bother CC(=O)OC[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])C=C[C@@H]1OC(C)=O ZINC000026485929 EC Annotated Bother CC(=O)OC[C@H]1O[C@H](n2ccnc2[N+](=O)[O-])C=C[C@@H]1OC(C)=O ZINC000026485943 EC Annotated Bother CO[C@H]1[C@H](OS(=O)(=O)O)[C@H]2OC[C@@H](O2)[C@@H]1OCc1ccccc1 ZINC000261085342 EC Annotated Anodyne CO[C@@H]1[C@@H](OCc2ccccc2)[C@H]2CO[C@@H](O2)[C@@H]1OS(=O)(=O)O ZINC000261085343 EC Annotated Anodyne CO[C@H]1[C@@H](OS(=O)(=O)O)[C@H]2OC[C@@H](O2)[C@H]1OCc1ccccc1 ZINC000261085344 EC Annotated Anodyne CO[C@H]1[C@H](OS(=O)(=O)O)[C@H]2OC[C@@H](O2)[C@H]1OCc1ccccc1 ZINC000261085345 EC Annotated Anodyne CO[C@@H]1O[C@H](COc2nc(N)nc3nc[nH]c23)[C@@H]2OC(C)(C)O[C@@H]21 ZINC000261097167 EC Annotated Anodyne CO[C@@H]1O[C@H](COc2nc(N)nc3nc[nH]c23)[C@H]2OC(C)(C)O[C@H]12 ZINC000261097169 EC Annotated Anodyne CC(C)C[C@]1(O)NC(=O)[C@]2(OC(Cc3ccccc3)=CC2=O)[C@H]1O ZINC000261130066 EC Annotated Mild NS(=O)(=O)c1ccc(N=Nc2nc3nc(O)nc(O)c3[nH]2)cc1 ZINC000261183549 EC Annotated Clean Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3C[C@H](O)C[C@H]3C2)cc1 ZINC000261494589 EC Annotated Anodyne in-man endogenous Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000261494671 EC Annotated Anodyne in-man endogenous Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000261494672 EC Annotated Anodyne in-man endogenous CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccn2)nc1O ZINC000261509866 EC Annotated Anodyne C#CCN1[C@@H](C(=O)OC)CN(CCCCCC)CCS1(=O)=O ZINC000263590556 EC Annotated Mild C#CCN1C[C@H](N(C)CCOC(=O)C[C@@H]2C=CCC2)CS1(=O)=O ZINC000263590569 EC Annotated Mild C#CCN1C[C@H](N(C)CCOC(=O)C[C@H]2C=CCC2)CS1(=O)=O ZINC000263590570 EC Annotated Mild CC[C@@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC(C)C ZINC000263590932 EC Annotated Anodyne CC[C@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC(C)C ZINC000263590933 EC Annotated Anodyne COC1=C/C(=c2/[nH]c3n(c2=Nc2ccc(C)cc2)C=CNC=3)C=CC1=O ZINC000263592282 EC Annotated Mild COC1=C/C(=c2/[nH]c3n(c2=Nc2ccccc2)C=CNC=3)C=CC1=O ZINC000263592336 EC Annotated Mild O=C(c1ccc(O)c(O)c1)[C@H](O)C[C@]1(c2ccc(O)c(O)c2)O[C@@H]1O ZINC000263614966 EC Annotated Clean in-vitro O=C(c1ccc(O)c(O)c1)[C@H](O)C[C@@]1(c2ccc(O)c(O)c2)O[C@@H]1O ZINC000263614967 EC Annotated Clean in-vitro Cc1c(Oc2nc(N)ns2)cc2c(c1C)[C@@H](CC(=O)O)OB2O ZINC000263620333 EC Annotated Anodyne C/C=C1/C[C@]2(CO)O[C@]2(C)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000263637523 EC Annotated Anodyne C/C=C1/C[C@]2(CO)O[C@]2(C)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000263637524 EC Annotated Anodyne C[C@@](O)(C(=O)N1CCN(c2cc([N+](=O)[O-])ccn2)CC1)C(F)(F)F ZINC000026501910 EC Annotated Bother CN(C)Cc1ccc(C(=O)OCn2ncc3c(=O)[nH]cnc32)cc1 ZINC000026504897 EC Annotated Anodyne C[C@H]1[C@@H](C)N1C[C@@H](O)CNC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000026568183 EC Annotated Bother C[C@H]1[C@@H](C)N1C[C@H](O)CNC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000026568187 EC Annotated Bother C[C@H]1[C@@H](C)N1C[C@@H](O)CNC(=O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000026568191 EC Annotated Bother C[C@H]1[C@@H](C)N1C[C@H](O)CNC(=O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000026568195 EC Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)CF)cc2)C(=O)O1 ZINC000026570996 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C(=O)COC(C)=O)cc2)C(=O)O1 ZINC000026574334 EC Annotated Anodyne CCS(=O)(=O)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1 ZINC000026574785 EC Annotated Anodyne CC(=O)NCC(=O)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1 ZINC000026575554 EC Annotated Anodyne CC(=O)N/C=C\SC1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 ZINC000026652246 EC Annotated Anodyne O=C(O)Cc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nc(C(=O)O)cn12 ZINC000026659770 EC Annotated Anodyne CC[C@@]1(O)C=C(C(=O)NCc2cc3ccccc3[n+]([O-])c2)COC1=O ZINC000026670224 EC Annotated Anodyne CC[C@]1(O)C=C(C(=O)NCc2cc3ccccc3[n+]([O-])c2)COC1=O ZINC000026670227 EC Annotated Anodyne CC[C@@]1(O)C=C(C(=O)NCc2cc3ccccc3[nH]c2=O)COC1=O ZINC000026670231 EC Annotated Anodyne CC[C@]1(O)C=C(C(=O)NCc2cc3ccccc3[nH]c2=O)COC1=O ZINC000026670235 EC Annotated Anodyne Cc1c(O)c2[nH]c(CCN3N=C(Cl)CCC3=O)nc2n(C)c1=O ZINC000026675311 EC Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)n(C/C(O)=N/S(C)(=O)=O)c2cc1C ZINC000026721054 EC Annotated Mild NCCCNCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O ZINC000026725063 EC Annotated Anodyne NCC(=O)N1CCC[C@@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 ZINC000026730246 EC Annotated Anodyne NCC(=O)N1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 ZINC000026730251 EC Annotated Anodyne CCOC(=O)c1cn2c(=O)n([C@@H]3CS[C@@H](CO)O3)ccc2n1 ZINC000026838676 EC Annotated Anodyne CCOC(=O)c1cn2c(=O)n([C@H]3CS[C@@H](CO)O3)ccc2n1 ZINC000026838680 EC Annotated Anodyne CCOC(=O)c1cn2c(=O)n([C@@H]3CS[C@H](CO)O3)ccc2n1 ZINC000026838684 EC Annotated Anodyne CCOC(=O)c1cn2c(=O)n([C@H]3CS[C@H](CO)O3)ccc2n1 ZINC000026838687 EC Annotated Anodyne Cn1cc[n+](C)c1COc1ccc(/C=N/NC2=NCCCN2)cc1 ZINC000026838691 EC Annotated Mild CN(CCN)S(=O)(=O)c1ccc(C(C)(C)[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000026843675 EC Annotated Bother CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)[C@@]2(OC)CCCCO2)C1 ZINC000026946483 EC Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)C(=O)[C@@]2(OC)CCCCO2)C1 ZINC000026946490 EC Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)[C@]2(OC)CCCCO2)C1 ZINC000026946497 EC Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)C(=O)[C@]2(OC)CCCCO2)C1 ZINC000026946501 EC Annotated Anodyne CC1(C)COC(=O)CCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000026962946 EC Annotated Anodyne CC1(C)COC(=O)CCCOC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000026962956 EC Annotated Anodyne CCNc1ccncc1S(=O)(=O)N/C(=C/[N+](=O)[O-])NC(C)C ZINC000026968143 EC Annotated Anodyne CN1c2nc(-c3cccc([N+](=O)[O-])c3)cnc2C(N)=NS1(=O)=O ZINC000026968264 EC Annotated Bother CCOc1nc2c(nc1-c1ccccc1)C(N)=NS(=O)(=O)N2C ZINC000026971069 EC Annotated Anodyne CCN1c2ncc(-c3ccc([N+](=O)[O-])cc3)nc2C(N)=NS1(=O)=O ZINC000026971342 EC Annotated Bother CN1c2nc(-c3ccc([N+](=O)[O-])cc3)cnc2C(N)=NS1(=O)=O ZINC000026978629 EC Annotated Bother CN1c2ncc(-c3cccc([N+](=O)[O-])c3)nc2C(N)=NS1(=O)=O ZINC000026978822 EC Annotated Bother CC(=O)OCC(COC(C)=O)OCn1cnc2c(F)nc(N)nc21 ZINC000026978888 EC Annotated Anodyne NC(=O)c1cc([C@@H](O)CNC[C@@H]2COc3ccccc3O2)ccc1O ZINC000026987053 EC Annotated Anodyne NC(=O)c1cc([C@H](O)CNC[C@@H]2COc3ccccc3O2)ccc1O ZINC000026987061 EC Annotated Anodyne NC(=O)c1cc([C@@H](O)CNC[C@H]2COc3ccccc3O2)ccc1O ZINC000026987066 EC Annotated Anodyne NC(=O)c1cc([C@H](O)CNC[C@H]2COc3ccccc3O2)ccc1O ZINC000026987074 EC Annotated Anodyne CC(=O)NCc1cccc(-c2csc(/N=C(\N)NCCO)n2)c1 ZINC000026990425 EC Annotated Mild COC1=C(C)C(=O)c2c(c(CO)c(C)n2CCN2CCOCC2)C1=O ZINC000026996383 EC Annotated Mild CSC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000026997836 EC Annotated Clean CSC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000026997841 EC Annotated Clean CC(C)(C)C(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O ZINC000027104923 EC Annotated Reactive COC(=O)c1ccc(NC[C@@H]2Cc3c(N)nc(N)nc3NC2=O)cc1 ZINC000027107946 EC Annotated Anodyne COC(=O)c1ccc(NC[C@H]2Cc3c(N)nc(N)nc3NC2=O)cc1 ZINC000027107949 EC Annotated Anodyne NC(=O)c1nc(Cc2ccccc2)n2c(=O)n(CCCl)nnc12 ZINC000027189283 EC Annotated Reactive CN(C(=O)c1ncn2c(=O)n(CCCl)nnc12)c1ccccc1 ZINC000027190010 EC Annotated Reactive NC(=O)c1nc(CCc2ccccc2)n2c(=O)n(CCCl)nnc12 ZINC000027190425 EC Annotated Reactive O=C(NCc1ccccc1)c1ncn2c(=O)n(CCCl)nnc12 ZINC000027190699 EC Annotated Reactive CN(C/C(O)=N/S(=O)(=O)c1nc2ccc(O)cc2s1)C(=N)N ZINC000027196952 EC Annotated Mild C#CCN/C(=N/CCCn1nc(-c2ccccc2)ccc1=O)NC#N ZINC000027208387 EC Annotated Mild NC1=NS(=O)(=O)Nc2nc(C(F)(F)F)c(C(F)(F)F)nc21 ZINC000027315965 EC Annotated Anodyne C/C(=N\NC1=NCCN1)c1cccc(/C(C)=N/NC2=NCCN2)c1 ZINC000027326152 EC Annotated Mild CC(=O)NNC[C@H]1CN(c2ccc(OCCO)c(F)c2)C(=O)O1 ZINC000027415011 EC Annotated Reactive C[C@@]1(CI)OC(=O)C[C@@H]2[C@@H](C(=O)O)NC[C@@H]21 ZINC000027419103 EC Annotated Reactive C[C@]1(CI)OC(=O)C[C@@H]2[C@@H](C(=O)O)NC[C@@H]21 ZINC000027419108 EC Annotated Reactive CCc1nc2c(nc1C)C(NCCN(C)C)=NS(=O)(=O)N2CC ZINC000027419396 EC Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3CC(N)C3)c(F)c21 ZINC000027419800 EC Annotated Anodyne CN1C(C(=O)Nc2cccc(=O)[nH]2)=C(O)c2ccccc2S1(=O)=O ZINC000027420712 EC Annotated Anodyne C[C@@]1(CI)OC(=O)C[C@@H]2[C@H](C(=O)O)NC[C@@H]21 ZINC000027420716 EC Annotated Reactive C[C@]1(CI)OC(=O)C[C@@H]2[C@H](C(=O)O)NC[C@@H]21 ZINC000027420721 EC Annotated Reactive CN1c2nc(-c3ccccc3)cnc2C(NCCN)=NS1(=O)=O ZINC000027420814 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@@H](C)[C@H]3C(=O)CO)C(=O)O1 ZINC000027421480 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@H](C)[C@H]3C(=O)CO)C(=O)O1 ZINC000027421485 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@@H](C)[C@@H]3C(=O)CO)C(=O)O1 ZINC000027421489 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@H](C)[C@@H]3C(=O)CO)C(=O)O1 ZINC000027421494 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@H](C)N3C(=O)CO)C(=O)O1 ZINC000027423445 EC Annotated Anodyne NC1=NC(=O)[C@H]2[C@@H](N=CN2COCCOCc2ccccc2)C(O)=N1 ZINC000027423958 EC Annotated Anodyne Cc1nc2c(nc1C)N(C)S(=O)(=O)N=C2NCc1ccccn1 ZINC000027427505 EC Annotated Anodyne COC1=C(NC(C)=O)C(=O)c2nc3n(c2C1=O)CC[C@@H]3OC(C)=O ZINC000027434250 EC Annotated Mild COC1=C(NC(C)=O)C(=O)c2nc3n(c2C1=O)CC[C@H]3OC(C)=O ZINC000027434252 EC Annotated Mild COC(=O)c1c(C)sc2c(O)cc(C(=O)Nn3cnnn3)nc12 ZINC000027441926 EC Annotated Anodyne CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CC(=O)NCC2=O)[C@@H]1O ZINC000027518066 EC Annotated Bother O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC[C@H](C1OCCO1)C2 ZINC000027518369 EC Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC[C@@H](C1OCCO1)C2 ZINC000027518370 EC Annotated Anodyne O=C(OCC(=O)N(N1CCOCC1)N1CCOCC1)c1ccccc1 ZINC000027520093 EC Annotated Anodyne O=P(O)(O)c1ccc(Cc2ccc(P(=O)(O)O)cc2)cc1 ZINC000027522901 EC Annotated Anodyne CN(C)CCSc1c(S(=O)(=O)c2ccccc2)no[n+]1[O-] ZINC000027523549 EC Annotated Anodyne CN(C)CCSc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000027524620 EC Annotated Anodyne CN(C)CCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000027524621 EC Annotated Anodyne Nc1nc(N)n(CCOCP(=O)(O)O)c(=O)c1-c1ccccc1 ZINC000027556617 EC Annotated Anodyne O/N=C\c1cccc[n+]1COCCOC[n+]1ccccc1/C=N/O ZINC000027557765 EC Annotated Mild Cc1cc2c(=O)n3cc(C(=O)Nc4nnn[nH]4)ccc3nc2s1 ZINC000027561908 EC Annotated Anodyne C/N=c1\c(O)c(O)\c1=N/CCNCc1ccc(CN2CCCCC2)o1 ZINC000027655629 EC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3nccn3C)[C@H](C)[C@@H]12 ZINC000027655749 EC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3nccn3C)[C@H](C)[C@@H]12 ZINC000027655751 EC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3nccn3C)[C@H](C)[C@H]12 ZINC000027655753 EC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3nccn3C)[C@H](C)[C@H]12 ZINC000027655755 EC Annotated Anodyne O=C(O)CCN1C(=O)C[C@@]2(CC(CCC3CCNCC3)=NO2)C1=O ZINC000027656876 EC Annotated Anodyne O=C(O)CCN1C(=O)C[C@]2(CC(CCC3CCNCC3)=NO2)C1=O ZINC000027656878 EC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3cc[n+](C)cc3)[C@H](C)[C@@H]12 ZINC000027658015 EC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3cc[n+](C)cc3)[C@H](C)[C@@H]12 ZINC000027658017 EC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3cc[n+](C)cc3)[C@H](C)[C@H]12 ZINC000027658019 EC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3cc[n+](C)cc3)[C@H](C)[C@H]12 ZINC000027658021 EC Annotated Anodyne CN(C)CCn1c(=O)c2cccc3c(=O)c4ccncc4n(c1=O)c32 ZINC000027707061 EC Annotated Bother CC(=O)O[C@@H]1N([N+](=O)[O-])C(=O)c2cc(Cl)ccc2N1[N+](=O)[O-] ZINC000027707073 EC Annotated Anodyne CC(=O)O[C@H]1N([N+](=O)[O-])C(=O)c2cc(Cl)ccc2N1[N+](=O)[O-] ZINC000027707076 EC Annotated Anodyne CCOCCOC(=O)C(=O)Nc1nc(-c2cc(CO)on2)cs1 ZINC000027709524 EC Annotated Anodyne COc1ccc(S(=O)(=O)N/N=C/c2cccc[n+]2[O-])c(OC)c1 ZINC000027709785 EC Annotated Mild Cc1ccc(C(=O)O)cc1S(=O)(=O)N/N=C/c1cccc[n+]1[O-] ZINC000027711516 EC Annotated Mild O=C(O)c1cc(S(=O)(=O)N/N=C/c2cccc[n+]2[O-])ccc1O ZINC000027711521 EC Annotated Mild Cc1ccc(S(=O)(=O)N/N=C/c2cccc[n+]2[O-])cc1C(=O)O ZINC000027712364 EC Annotated Mild N#Cc1c(-c2cccnc2)[nH]c(NCCCN2CCOCC2)nc1=O ZINC000027714726 EC Annotated Mild CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)[C@@H]1CCS(=O)(=O)C1 ZINC000027722189 EC Annotated Anodyne CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)[C@@H]1CCS(=O)(=O)C1 ZINC000027722197 EC Annotated Anodyne CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)[C@H]1CCS(=O)(=O)C1 ZINC000027722202 EC Annotated Anodyne CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)[C@H]1CCS(=O)(=O)C1 ZINC000027722208 EC Annotated Anodyne N#Cc1c(-c2cccnc2)[nH]c(NCCN2CCOCC2)nc1=O ZINC000027732616 EC Annotated Mild CC1=CN(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)CO1 ZINC000027737632 EC Annotated Anodyne C[C@H]1C(=O)C(O)=C2[C@@](C)([C@@H]3C=CC(=O)O3)C[C@H]3OC(=O)C[C@@H]1[C@@]23CO ZINC000027767581 EC Annotated Mild C[C@H]1C(=O)C(O)=C2[C@@](C)([C@@H]3C=CC(=O)O3)C[C@@H]3OC(=O)C[C@@H]1[C@@]23CO ZINC000027767587 EC Annotated Mild COC[C@@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027846274 EC Annotated Anodyne COC[C@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027846282 EC Annotated Anodyne COC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027846289 EC Annotated Anodyne COC[C@H]1O[C@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027846298 EC Annotated Anodyne COc1cccc2c(O)n3nc(C(=O)Nc4nnn[nH]4)cc3nc12 ZINC000027851833 EC Annotated Anodyne CCCCn1c2nc(=O)n(C)c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000027852510 EC Annotated Mild CCOC(=O)CN(C)C(=O)COC(=O)c1ccccc1OC(C)=O ZINC000027854446 EC Annotated Anodyne CN(CC#CCN1CCCC1)C(=O)CCCCCNC(=O)CCN ZINC000027857439 EC Annotated Mild COc1ccc2nc3cc(C(=O)Nc4nnn[nH]4)nn3c(O)c2c1 ZINC000027860857 EC Annotated Anodyne COc1cccc2nc3cc(C(=O)Nc4nnn[nH]4)nn3c(O)c12 ZINC000027862225 EC Annotated Anodyne CN(C)S(=O)(=O)N1N=C(OS(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000027871896 EC Annotated Mild CN(C)S(=O)(=O)N1N=C(OS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000027871903 EC Annotated Mild C[C@@H](NCc1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O ZINC000027878043 EC Annotated Anodyne Nc1n[nH]c(=O)c2c1c(Br)cn2[C@@H]1CC[C@@H](CO)O1 ZINC000027887408 EC Annotated Anodyne Nc1n[nH]c(=O)c2c1c(Br)cn2[C@@H]1CC[C@H](CO)O1 ZINC000027887416 EC Annotated Anodyne Nc1n[nH]c(=O)c2c1c(Br)cn2[C@H]1CC[C@H](CO)O1 ZINC000027887421 EC Annotated Anodyne CO[C@@H]1OC[C@@H]2OC(C)(C)O[C@@H]2[C@@]1(F)CCn1ccc(=O)[nH]c1=O ZINC000027892668 EC Annotated Anodyne CO[C@H]1OC[C@@H]2OC(C)(C)O[C@@H]2[C@@]1(F)CCn1ccc(=O)[nH]c1=O ZINC000027892675 EC Annotated Anodyne CO[C@@H]1OC[C@H]2OC(C)(C)O[C@@H]2[C@@]1(F)CCn1ccc(=O)[nH]c1=O ZINC000027892684 EC Annotated Anodyne CO[C@H]1OC[C@H]2OC(C)(C)O[C@@H]2[C@@]1(F)CCn1ccc(=O)[nH]c1=O ZINC000027892693 EC Annotated Anodyne C[C@@H]1[C@@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@@H]4C[C@@]3(C[C@H](O)[C@]21O)C[C@@]4(C)O ZINC000027896037 EC Annotated Anodyne C[C@H]1[C@@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@@H]4C[C@@]3(C[C@H](O)[C@@]12O)C[C@@]4(C)O ZINC000027896043 EC Annotated Anodyne C[C@@H]1[C@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@@H]4C[C@@]3(C[C@H](O)[C@]21O)C[C@@]4(C)O ZINC000027896049 EC Annotated Anodyne C[C@H]1[C@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@@H]4C[C@@]3(C[C@H](O)[C@@]12O)C[C@@]4(C)O ZINC000027896053 EC Annotated Anodyne CCCSC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1 ZINC000027987975 EC Annotated Reactive CNc1ncnc2c1ncn2CC(=O)Nc1cccc2c1CNC2=O ZINC000027991723 EC Annotated Anodyne C=Cc1cn([C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)nc1N ZINC000027994842 EC Annotated Anodyne C=Cc1cn([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)nc1N ZINC000027994848 EC Annotated Anodyne C=Cc1cn([C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)nc1N ZINC000027994852 EC Annotated Anodyne C=Cc1cn([C@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)nc1N ZINC000027994857 EC Annotated Anodyne CCOC(=O)CCCn1c(=O)c2nccnc2n([C@@H]2CCOC2)c1=O ZINC000028002284 EC Annotated Anodyne CCOC(=O)CCCn1c(=O)c2nccnc2n([C@H]2CCOC2)c1=O ZINC000028002289 EC Annotated Anodyne COC(=O)[C@@H](CCO[C@@H]1CCCC[C@@H]1C)NC(=O)[C@@H](N)CC(=O)O ZINC000028012076 EC Annotated Anodyne COC(=O)[C@H](CCO[C@@H]1CCCC[C@@H]1C)NC(=O)[C@@H](N)CC(=O)O ZINC000028012080 EC Annotated Anodyne COC(=O)[C@@H](CCO[C@H]1CCCC[C@@H]1C)NC(=O)[C@@H](N)CC(=O)O ZINC000028012082 EC Annotated Anodyne COC(=O)[C@H](CCO[C@H]1CCCC[C@@H]1C)NC(=O)[C@@H](N)CC(=O)O ZINC000028012083 EC Annotated Anodyne COc1ccc(C(=O)NCCOC(=O)[C@@H](N)CCSC)cc1O ZINC000028014948 EC Annotated Anodyne COC(Cn1c2ccc(OC(C)=O)cc2c2c(=O)oc(=O)[nH]c21)OC ZINC000028015563 EC Annotated Anodyne CCOC(=O)Cn1cnc([N+](=O)[O-])c1I ZINC000028017201 EC Annotated Bother CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CSC(F)(F)F)[C@@H]2OC1 ZINC000028019268 EC Annotated Anodyne CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CSC(F)(F)F)[C@H]2OC1 ZINC000028019271 EC Annotated Anodyne CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSC(F)(F)F)[C@@H]2OC1 ZINC000028019274 EC Annotated Anodyne CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSC(F)(F)F)[C@H]2OC1 ZINC000028019277 EC Annotated Anodyne Cc1nc2ncnn2c2c1CCN2c1ccc(S(N)(=O)=O)cc1 ZINC000028019607 EC Annotated Anodyne CN[C@@H]1[C@@H](O)[C@]2(C)[C@@]3(COC(C)=O)CCC(C)=C[C@H]3O[C@H]1[C@]21CO1 ZINC000028020244 EC Annotated Anodyne CN[C@@H]1[C@@H](O)[C@]2(C)[C@@]3(COC(C)=O)CCC(C)=C[C@@H]3O[C@H]1[C@]21CO1 ZINC000028020248 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3nnc(C=O)n3)c(F)c2)C(=O)O1 ZINC000028021318 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ncc(C#N)n3)c(F)c2)C(=O)O1 ZINC000028021645 EC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3nnc(C#N)n3)c(F)c2)C(=O)O1 ZINC000028088154 EC Annotated Mild COC[C@@H](O)Cn1cnc([N+](=O)[O-])c1I ZINC000028089267 EC Annotated Bother COC[C@H](O)Cn1cnc([N+](=O)[O-])c1I ZINC000028089274 EC Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(-n3cc(CO)nn3)c(F)c2)C(=O)O1 ZINC000028090815 EC Annotated Anodyne CCn1c(=O)/c(=C2\SCCN2C)s/c1=C\c1cccc[n+]1C ZINC000028091683 EC Annotated Anodyne CCn1c(=O)/c(=C2\C=CC=CN2C)s/c1=C\c1cccc[n+]1C ZINC000028097598 EC Annotated Anodyne CCOC(=O)Cn1cnc(I)c1[N+](=O)[O-] ZINC000028099774 EC Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(CO)n3)c(F)c2)C(=O)O1 ZINC000028100104 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C#N)n3)c(F)c2)C(=O)O1 ZINC000028104742 EC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C=O)n3)c(F)c2)C(=O)O1 ZINC000028108101 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#N)nn3)c(F)c2)C(=O)O1 ZINC000028109620 EC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(N)n3)c(F)c2)C(=O)O1 ZINC000028110995 EC Annotated Anodyne COC[C@@H](O)Cn1cnc(I)c1[N+](=O)[O-] ZINC000028114728 EC Annotated Bother COC[C@H](O)Cn1cnc(I)c1[N+](=O)[O-] ZINC000028114734 EC Annotated Bother NCCN1C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N=C1O ZINC000028120001 EC Annotated Mild NCCN1C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N=C1O ZINC000028120006 EC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)N(CCO)C1=O ZINC000028124424 EC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)N(CCO)C1=O ZINC000028124431 EC Annotated Mild CCCCNS(=O)(=O)n1nc(C(=O)O)c2c1-c1cn[nH]c1CC2 ZINC000028131428 EC Annotated Anodyne CCCCNS(=O)(=O)n1nc(C(N)=O)c2ccc3[nH]ncc3c21 ZINC000028131925 EC Annotated Anodyne CCCNS(=O)(=O)c1ccc(Cl)cc1[C@@H]1NC(=O)NC1=O ZINC000028225670 EC Annotated Anodyne CCCNS(=O)(=O)c1ccc(Cl)cc1[C@H]1NC(=O)NC1=O ZINC000028225674 EC Annotated Anodyne CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@H]3NC(=O)N(C)C ZINC000028230601 EC Annotated Mild CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3NC(=O)N(C)C ZINC000028230604 EC Annotated Mild O=NN(CCCl)C(=O)N[C@H](CC(=O)O)C(=O)NCCCl ZINC000028230832 EC Annotated Reactive O=NN(CCCl)C(=O)N[C@@H](CC(=O)O)C(=O)NCCCl ZINC000028230836 EC Annotated Reactive O=C1c2ccc(CN(CCO)CCO)cc2C(=O)c2nccnc21 ZINC000028238951 EC Annotated Clean CC(=O)NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4)cc3C[C@@H]12 ZINC000028239963 EC Annotated Clean CC(C)(C)OC(=O)N/N=C(\NCC(=O)O)NNC(=O)OC(C)(C)C ZINC000028247475 EC Annotated Reactive CC(C)(C)C#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000028396743 EC Annotated Mild N#C[C@@H]1C[C@H]2C[C@H]2N1C(=O)[C@H](N)C12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 ZINC000028462986 EC Annotated Mild N#C[C@@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 ZINC000028462990 EC Annotated Mild C=CCCCCCCCOCCO[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O ZINC000028569717 EC Annotated Mild C=CCCCCCCCOCCO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O ZINC000028569718 EC Annotated Mild CCN(CC)c1nc2nc(SCC(=O)NCCN)nc-2c(C)[nH]1 ZINC000028639462 EC Annotated Anodyne O=C1O/C(=C\Cn2cc(-c3ccccc3)c(=O)[nH]c2=O)C(O)=C1O ZINC000028643060 EC Annotated Anodyne O=C(Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1)c1ccc(F)cc1 ZINC000028644115 EC Annotated Anodyne COc1ccc(C(=O)Nc2ccn([C@@H]3CO[C@H](CO)O3)c(=O)n2)cc1 ZINC000028644256 EC Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(O)ccc21 ZINC000028649528 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CC(O)C3)c(F)c2)C(=O)O1 ZINC000028708283 EC Annotated Anodyne CC(C)C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O ZINC000028708919 EC Annotated Bother CCNc1nc(NCCO)nc2c(NCC)nc(NCCO)nc12 ZINC000028710647 EC Annotated Anodyne CC(C)C[C@@H](CNC(=O)[C@@H](C)CNC(=O)[C@H](CN)C(C)C)C(=O)O ZINC000028711768 EC Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCNCC2)c(F)c1 ZINC000028712339 EC Annotated Anodyne C#CCN/C(=N/S(=O)(=O)c1cc(C)c(Cl)cc1S)NN ZINC000028712898 EC Annotated Mild O=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1cccc(Cc2nnn[nH]2)c1C3 ZINC000028760401 EC Annotated Anodyne CNC(=O)Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)O)cn12 ZINC000028760461 EC Annotated Anodyne O=C1NCC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028761982 EC Annotated Anodyne O=C1NCC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028761984 EC Annotated Anodyne O=C1NCC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)O1 ZINC000028761986 EC Annotated Anodyne O=C1NCC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)O1 ZINC000028761987 EC Annotated Anodyne O=c1cnn(-c2ccc(S(=O)(=O)c3ccccc3)cc2)c(=O)[nH]1 ZINC000028763464 EC Annotated Anodyne O=c1cnn(-c2ccc(S(=O)(=O)Cc3ccccc3)cc2)c(=O)[nH]1 ZINC000028763677 EC Annotated Anodyne CC1(C)O[C@H]2[C@H]3[C@@H](CO[C@@]2(COS(N)(=O)=O)O1)C3(Cl)Cl ZINC000028764278 EC Annotated Anodyne CCN(CCn1cc[n+](C)c1/C=N/O)S(=O)(=O)C(F)(F)F ZINC000028768415 EC Annotated Mild CC[n+]1ccn(CCN(C)S(=O)(=O)C(F)(F)F)c1/C=N/O ZINC000028768417 EC Annotated Mild CC[C@@H](Cn1cc[n+](C)c1/C=N/O)NS(=O)(=O)C(F)(F)F ZINC000028769111 EC Annotated Mild CC[C@H](Cn1cc[n+](C)c1/C=N/O)NS(=O)(=O)C(F)(F)F ZINC000028769113 EC Annotated Mild C[n+]1ccn(CCCCCNS(=O)(=O)C(F)(F)F)c1/C=N/O ZINC000028769126 EC Annotated Mild CCCN(CCn1cc[n+](C)c1/C=N/O)S(=O)(=O)C(F)(F)F ZINC000028769190 EC Annotated Mild CCN(CCCn1cc[n+](C)c1/C=N/O)S(=O)(=O)C(F)(F)F ZINC000028769712 EC Annotated Mild CN(CCCn1cc[n+](C)c1/C=N/O)S(=O)(=O)C(F)(F)F ZINC000028769752 EC Annotated Mild CCN(CCn1cc[n+](C)c1/C=N/O)S(=O)(=O)c1ccccc1 ZINC000028770023 EC Annotated Mild CN(CCCn1cc[n+](C)c1/C=N/O)S(=O)(=O)c1ccccc1 ZINC000028770429 EC Annotated Mild N[C@@H]1NC(=O)N([C@@H]2CSC3(COP(=O)(O)OC3)O2)C=C1F ZINC000028771282 EC Annotated Anodyne N[C@H]1NC(=O)N([C@@H]2CSC3(COP(=O)(O)OC3)O2)C=C1F ZINC000028771284 EC Annotated Anodyne N[C@@H]1NC(=O)N([C@H]2CSC3(COP(=O)(O)OC3)O2)C=C1F ZINC000028771286 EC Annotated Anodyne N[C@H]1NC(=O)N([C@H]2CSC3(COP(=O)(O)OC3)O2)C=C1F ZINC000028771288 EC Annotated Anodyne O=C(C1=NNC(P(=O)(O)O)(P(=O)(O)O)C1)c1ccccc1 ZINC000028772237 EC Annotated Anodyne CC(=O)Nn1c(S)nnc1Cc1csc(NC(=O)CCl)n1 ZINC000028816915 EC Annotated Reactive CC(=O)Nn1c(S)nnc1Cc1csc(NCCC(=O)O)n1 ZINC000028816919 EC Annotated Anodyne O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NC(=O)N1CCCC[C@H]1CCO ZINC000028820210 EC Annotated Anodyne O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NC(=O)N1CCCC[C@@H]1CCO ZINC000028820212 EC Annotated Anodyne O=C(NC(=O)N1CCCC[C@H]1CCO)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O ZINC000028820214 EC Annotated Anodyne O=C(NC(=O)N1CCCC[C@@H]1CCO)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O ZINC000028820215 EC Annotated Anodyne C[C@@]1(C(=O)NC(=O)N2CCOCC2)[C@H]2CC[C@H](O2)[C@]1(C)C(=O)O ZINC000028820474 EC Annotated Anodyne COC(=O)CC[C@H](NC(=O)COc1ccc(C=O)cc1)C(=O)OC ZINC000028821207 EC Annotated Anodyne Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl ZINC000028822677 EC Annotated Mild Cc1c(N2C(=O)[C@@H]3[C@@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl ZINC000028822678 EC Annotated Mild N#Cc1c(O)c(O)c2n(c1=O)CCN(Cc1ccc(F)cc1)C2=O ZINC000028825274 EC Annotated Mild NC(=O)[C@H]1CN(c2cc(F)c(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000028825353 EC Annotated Anodyne COC(=O)/C=C/c1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000028862605 EC Annotated Anodyne COC(=O)/C=C/c1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000028862607 EC Annotated Anodyne CCOC(=O)C[C@@H]1NN=C2N(CCN2c2ccc(OC)cc2)C1=O ZINC000028869685 EC Annotated Anodyne CCOC(=O)C[C@H]1NN=C2N(CCN2c2ccc(OC)cc2)C1=O ZINC000028869689 EC Annotated Anodyne O/N=C\c1ccc[n+](COCCOC[n+]2cccc(/C=N\O)c2)c1 ZINC000028872334 EC Annotated Mild N[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2F)C1 ZINC000028884418 EC Annotated Anodyne N[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2F)C1 ZINC000028884425 EC Annotated Anodyne Cc1c(N2CC[C@@H](N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000028884448 EC Annotated Anodyne Cc1c(N2CC[C@H](N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000028884450 EC Annotated Anodyne N[C@@H]1CCN(c2cc(F)c3c(=O)n(N)c(=O)n(C4CC4)c3c2F)C1 ZINC000028884554 EC Annotated Anodyne N[C@H]1CCN(c2cc(F)c3c(=O)n(N)c(=O)n(C4CC4)c3c2F)C1 ZINC000028884559 EC Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCC(=O)N(C)CCO[N+](=O)[O-] ZINC000028948266 EC Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCCN(C)CCO[N+](=O)[O-] ZINC000028948283 EC Annotated Anodyne N[C@H]1CN(Cc2ccc(-n3cncn3)cc2)C[C@H]1C(=O)N1CCCC1 ZINC000028954992 EC Annotated Anodyne NC(N)=NC(=O)CCCCCCCCCCCC(=O)N=C(N)N ZINC000028956627 EC Annotated Mild O=C(NCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O ZINC000028966871 EC Annotated Clean O=C1c2c(ccc(O)c2O)CN1N1C(=O)c2cccc(O)c2C1=O ZINC000028967009 EC Annotated Clean O=C1c2c(ccc(O)c2O)CN1N1C(=O)c2ccc(O)c(O)c2C1=O ZINC000028967013 EC Annotated Clean O=C1c2c(ccc(O)c2O)CN1N1C(=O)c2cc(O)c(O)cc2C1=O ZINC000028967018 EC Annotated Clean COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@@H]2O)OC1=O ZINC000028969971 EC Annotated Anodyne COCC1=C2[C@@H](O)C[C@@]3(C)O[C@]2(C[C@](C)(O)CCC3=O)OC1=O ZINC000028969982 EC Annotated Anodyne COc1cc2c(cc1OC)[C@]1(OC2=O)[C@H](O)[C@@H](O)C=C2CCN(C)[C@H]21 ZINC000028975138 EC Annotated Anodyne CO[C@@H]1C[C@@]23C(=C[C@H]1O)CCN2C(=O)C(=O)c1cc2c(cc13)OCO2 ZINC000029042051 EC Annotated Anodyne Brc1ccc([C@@H]2CNCCNCCNCCN2)cc1 ZINC000029126254 EC Annotated Anodyne Brc1ccc([C@H]2CNCCNCCNCCN2)cc1 ZINC000029126255 EC Annotated Anodyne O=C(CC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O ZINC000029133390 EC Annotated Anodyne O=C(CC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O ZINC000029133391 EC Annotated Anodyne O=C(C[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O ZINC000029133396 EC Annotated Anodyne O=C(C[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O ZINC000029133398 EC Annotated Anodyne Nc1nc2c(c(=O)[nH]1)N=C(CCNC1CCC(C(=O)O)CC1)CN2 ZINC000029203539 EC Annotated Anodyne Nc1nc(=O)c2c([nH]1)NC[C@H](CCNC1CCC(C(=O)O)CC1)N2 ZINC000029203544 EC Annotated Anodyne Nc1nc(=O)c2c([nH]1)NC[C@@H](CCNC1CCC(C(=O)O)CC1)N2 ZINC000029203549 EC Annotated Anodyne O=C(NNc1ccccc1)c1ncn2c(=O)n(CCCl)nnc12 ZINC000029204502 EC Annotated Reactive O=C(NOCc1ccccc1)c1ncn2c(=O)n(CCCl)nnc12 ZINC000029204507 EC Annotated Reactive O=C(C1=NNC(P(=O)(O)O)(P(=O)(O)O)C1)C1CCCCC1 ZINC000029205774 EC Annotated Anodyne CO[C@@H](CCNC(=O)N(CCCl)N=O)n1c(=O)cc[nH]c1=O ZINC000029212939 EC Annotated Reactive CO[C@H](CCNC(=O)N(CCCl)N=O)n1c(=O)cc[nH]c1=O ZINC000029212943 EC Annotated Reactive NC(N)=Nc1nc(-c2cccc(NC3=NS(=O)N=C3N)c2)cs1 ZINC000029221917 EC Annotated Mild CS(=O)(=O)Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O ZINC000029240824 EC Annotated Mild Nc1nc(N)c(CCNc2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000029246271 EC Annotated Bother N[C@@H](Cc1nc2cccc(Cl)c2n1CP(=O)(O)O)C(=O)O ZINC000029312065 EC Annotated Anodyne CC(=O)/C=C1/C(=O)N2[C@@H](C(=O)OC(C)(C)C)C(C)(C)[S@@](=O)[C@H]12 ZINC000029312828 EC Annotated Mild N[C@@H](Cc1nc2c(Cl)cccc2n1CP(=O)(O)O)C(=O)O ZINC000029314432 EC Annotated Anodyne CC(C)C(=O)N[C@@H](CSC(=O)C(C)C)C(=O)NCCO[N+](=O)[O-] ZINC000029322838 EC Annotated Anodyne CC(=O)N[C@@H](CSC(=O)C(C)(C)C)C(=O)NCCO[N+](=O)[O-] ZINC000029323136 EC Annotated Anodyne CCOC(=O)[C@@H](N)Cc1nc2ccccc2n1CP(=O)(O)O ZINC000029324202 EC Annotated Anodyne Cc1cc2nc(C[C@H](N)C(=O)O)n(CP(=O)(O)O)c2cc1C ZINC000029324698 EC Annotated Anodyne N[C@@H](Cc1nc2ccc(Cl)cc2n1CP(=O)(O)O)C(=O)O ZINC000029327038 EC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000029332332 EC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)Cc1ccccc1 ZINC000029332337 EC Annotated Anodyne COc1ccc(CCNC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000029337219 EC Annotated Anodyne CO[C@@H]1OC(C(=O)NCCCO)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029340706 EC Annotated Mild CO[C@H]1OC(C(=O)NCCCO)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029340709 EC Annotated Mild Cc1ccc(C[C@@H](CO)NC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000029341024 EC Annotated Anodyne Cc1ccc(C[C@H](CO)NC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000029341027 EC Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(CNCCO)cc(O)c1C2=O ZINC000029341431 EC Annotated Clean C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@@H]1CO[C@@H](Cc2ccoc2)[C@H](O)[C@@H]1O ZINC000029345485 EC Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](Cc2ccoc2)[C@H](O)[C@@H]1O ZINC000029345488 EC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CCC3)[C@H](C)[C@H]12 ZINC000029396696 EC Annotated Anodyne CO[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2CO[C@@H](O2)[C@@H]1OS(=O)(=O)O ZINC000029414059 EC Annotated Anodyne CO[C@H]1[C@@H](OCc2ccccc2)[C@@H]2CO[C@@H](O2)[C@@H]1OS(=O)(=O)O ZINC000029414061 EC Annotated Anodyne CO[C@@H]1[C@H](OCc2ccccc2)[C@@H]2CO[C@@H](O2)[C@@H]1OS(=O)(=O)O ZINC000029414063 EC Annotated Anodyne CO[C@H]1[C@H](OCc2ccccc2)[C@@H]2CO[C@@H](O2)[C@@H]1OS(=O)(=O)O ZINC000029414066 EC Annotated Anodyne NCCCCN(C/C=C/CN(CCCN)CCCCN)CCCN ZINC000029461926 EC Annotated Anodyne CN(C)Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1 ZINC000029476061 EC Annotated Mild CCS(=O)(=O)/N=C(\N)CCCCc1csc(N=C(N)N)n1 ZINC000029478094 EC Annotated Mild CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1N[C@@H]31 ZINC000029489926 EC Annotated Mild CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1[C@H]3N1C ZINC000029552505 EC Annotated Mild CCN(CC)CCCNC(=O)N/N=C/c1ccc2no[n+]([O-])c2c1 ZINC000029559656 EC Annotated Reactive N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2Br)C1 ZINC000029559890 EC Annotated Anodyne O=c1c(NC[C@H](O)Cn2ccnc2[N+](=O)[O-])cnc2ccccn12 ZINC000029562906 EC Annotated Bother O=c1c(NC[C@@H](O)Cn2ccnc2[N+](=O)[O-])cnc2ccccn12 ZINC000029562910 EC Annotated Bother O=C(NN1CC=CCC1)c1cccc(C(=O)NN2CC=CCC2)n1 ZINC000029569611 EC Annotated Anodyne COC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000029570297 EC Annotated Anodyne COC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000029570300 EC Annotated Anodyne C[C@@H]1[C@H](O)C[C@@H]2[C@]1(O)[C@@H](O)C[C@@]13C[C@@H](CC[C@@H]1[C@@]2(C)O)[C@](C)(O)C3 ZINC000299805790 EC Annotated Anodyne C[C@@H]1[C@H](O)C[C@@H]2[C@]1(O)[C@H](O)C[C@@]13C[C@@H](CC[C@H]1[C@@]2(C)O)[C@](C)(O)C3 ZINC000299805791 EC Annotated Anodyne C[C@@H]1[C@H](O)C[C@@H]2[C@]1(O)[C@@H](O)C[C@@]13C[C@@H](CC[C@H]1[C@@]2(C)O)[C@](C)(O)C3 ZINC000299805792 EC Annotated Anodyne CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3[C@@]1(C)[C@H]1C(=O)OC(=O)[C@H]21 ZINC000299814241 EC Annotated Reactive CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)OC(=O)[C@@H]21 ZINC000299814242 EC Annotated Reactive CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)OC(=O)[C@H]21 ZINC000299814243 EC Annotated Reactive CCOC(=O)C1=C(C)C2[C@@H]3C(=O)OC(=O)[C@@H]3C1(C)[C@H]1C(=O)OC(=O)[C@@H]21 ZINC000299814244 EC Annotated Reactive CCCC(=O)O[C@@H]1[C@H](CO)O[C@@H](n2cc(F)c(O)nc2=O)[C@H]1F ZINC000299814571 EC Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](CO)O[C@H](n2cc(F)c(O)nc2=O)[C@H]1F ZINC000299814572 EC Annotated Anodyne CC1(C)OC[C@@H]2O[C@]3(c4nc(C#N)c(N)o4)OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000299815818 EC Annotated Mild CC1(C)OC[C@@H]2O[C@]3(c4nc(C#N)c(N)o4)OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000299815819 EC Annotated Mild CC1(C)OC[C@@H]2O[C@]3(c4nc(C#N)c(N)o4)OC(C)(C)O[C@H]3[C@H]2O1 ZINC000299815820 EC Annotated Mild CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)[C@@H]2CC(C)=C(C)C[C@H]2[C@H]1O ZINC000299815843 EC Annotated Clean CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2[C@H]1O ZINC000299815844 EC Annotated Clean CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccnc2)nc1O ZINC000299816520 EC Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccncc2)nc1O ZINC000299816530 EC Annotated Anodyne CCS(=O)(=O)Nc1ccc(C[C@H](N)C(=O)O)c(CCC(=O)O)c1 ZINC000299827903 EC Annotated Anodyne c1c[n+]2ccc1NCCOCCNc1cc[n+](cc1)CCOCC2 ZINC000299828676 EC Annotated Anodyne Nn1c(Cc2cccs2)nn(CC(=O)N/N=C/c2ccco2)c1=O ZINC000299833667 EC Annotated Reactive COC(=O)[C@@H](N)Cc1nc(Br)[nH]c1Br ZINC000299834002 EC Annotated Anodyne N=C(N)N/N=C/c1cccc(OCc2ccc3no[n+]([O-])c3c2)c1 ZINC000299835421 EC Annotated Mild CNS(=O)(=O)c1cc(S(=O)(=O)NC)c2ccc(C)nc2c1O ZINC000299836558 EC Annotated Anodyne COC(=O)CNC(=O)CSC1=C(OC)C(=O)c2ccccc2C1=O ZINC000299836910 EC Annotated Mild Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299838482 EC Annotated Mild COC(=O)CNC(=O)CSC1=CC(=O)c2cccc(OC)c2C1=O ZINC000299839987 EC Annotated Mild C[n+]1ccc(OCCCOc2ccc(/C=N/O)[n+](C)c2)cc1/C=N/O ZINC000299841539 EC Annotated Mild O=C(N[C@H]1CN(c2ncccn2)C[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC000299841721 EC Annotated Anodyne O=C1C[C@H]2[C@H](CCN2C(=O)c2ccoc2)N1CCN1CCOCC1 ZINC000299841742 EC Annotated Anodyne CCCS(=O)(=O)N1C[C@H]2OCCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000299841746 EC Annotated Anodyne Cc1cccc(CN2C[C@H]3COC[C@@]3(COCC(=O)N(C)C)C2)n1 ZINC000299841747 EC Annotated Anodyne CN1CCN(C)[C@@H](c2nnc3ccc(C(=O)N4CCOCC4)cn23)C1 ZINC000299841785 EC Annotated Anodyne CN(C)C(=O)CO[C@H]1CN(Cc2cccc(C#N)c2)[C@H]2COC[C@@H]12 ZINC000299841821 EC Annotated Mild COCCN1CC[C@H]2O[C@H](COCC(=O)N3CCCC3)CC[C@H]21 ZINC000299841835 EC Annotated Anodyne COCCN1CC[C@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@H]21 ZINC000299841836 EC Annotated Anodyne O=C1CC[C@H]2[C@@H](CCN2S(=O)(=O)C2CC2)N1CCN1CCCC1 ZINC000299841846 EC Annotated Anodyne CS(=O)(=O)N[C@H]1CN(Cc2ccncc2)C[C@H]2CCCO[C@@H]12 ZINC000299841853 EC Annotated Anodyne Cn1cccc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCN1CCOCC1 ZINC000299841854 EC Annotated Anodyne CN1CCN(C(=O)[C@H]2C[C@H]3CCN(c4ncc(F)cn4)C[C@@H]3O2)CC1 ZINC000299841855 EC Annotated Anodyne CN(C)CCN1C[C@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2C1=O ZINC000299841874 EC Annotated Anodyne CC(=O)N1[C@@H](Cn2cncn2)C[C@H]2CN(c3ncc(F)cn3)CC[C@H]21 ZINC000299841906 EC Annotated Anodyne CN(C)S(=O)(=O)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@H]21 ZINC000299841989 EC Annotated Anodyne CS(=O)(=O)N[C@H]1CN(C(=O)c2ccccn2)[C@H]2CCCO[C@@H]12 ZINC000299842017 EC Annotated Anodyne CCc1ccc(CN2C[C@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)o1 ZINC000299842028 EC Annotated Anodyne CO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H]1Cc1cccnc1 ZINC000299842030 EC Annotated Anodyne Cn1cc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccco3)C2)cn1 ZINC000299842047 EC Annotated Anodyne CN(C)S(=O)(=O)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 ZINC000299842081 EC Annotated Anodyne CN1CCC(NC(=O)[C@H]2CC[C@H]3[C@@H](CCN3c3ncccn3)O2)CC1 ZINC000299842112 EC Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2N1C ZINC000299842113 EC Annotated Anodyne O=C(Cc1ccccn1)N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC000299842141 EC Annotated Anodyne Cn1cc(C(=O)N[C@H]2CN(CC3CCOCC3)[C@H]3CCCO[C@@H]23)cn1 ZINC000299842145 EC Annotated Anodyne Cc1noc(C)c1CN1C[C@H]2CCCO[C@@H]2[C@H](NS(C)(=O)=O)C1 ZINC000299842151 EC Annotated Anodyne O=C(CO[C@H]1CC[C@H]2[C@@H]1OCCN2c1ncccn1)N1CCCC1 ZINC000299842192 EC Annotated Anodyne Cc1cccc(C(=O)N2C[C@H]3OCCN(c4ncccn4)[C@@H]3C2)n1 ZINC000299842206 EC Annotated Anodyne Cc1cccc(CN2C[C@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2=O)n1 ZINC000299842244 EC Annotated Anodyne CC(=O)N1[C@H]2CCN(C(=O)c3cnc(C)cn3)C[C@@H]2C[C@@H]1CN(C)C ZINC000299842259 EC Annotated Anodyne Cc1cnc(N2C[C@@H]3C[C@H](C(=O)N4CCN(C)CC4)N(C)[C@H]3C2)nc1 ZINC000299842269 EC Annotated Anodyne O=C(N[C@H]1CN(c2ncccn2)C[C@H]2CCCO[C@@H]12)c1ccnnc1 ZINC000299842303 EC Annotated Anodyne CCC(=O)N1C[C@@H](c2ccnc(N3CCCC3)n2)[C@@H](C(=O)NC)C1 ZINC000299842325 EC Annotated Anodyne COCCN1CCO[C@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2C1 ZINC000299842393 EC Annotated Anodyne Cc1cncc(C(=O)N2C[C@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)c1 ZINC000299842417 EC Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]2N1C ZINC000299842451 EC Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]2N1C ZINC000299842471 EC Annotated Anodyne CS(=O)(=O)N[C@H]1CN(C(=O)c2cccnc2)[C@H]2CCCO[C@@H]12 ZINC000299842481 EC Annotated Anodyne O=C(c1ccnnc1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC000299842489 EC Annotated Anodyne Cc1ccc(N2CC[C@H]3C[C@H](C(=O)N4CCOCC4)O[C@@H]3C2)nn1 ZINC000299842515 EC Annotated Anodyne CS(=O)(=O)N1CCO[C@H]2CCN(Cc3ccncc3)CC[C@H]21 ZINC000299842575 EC Annotated Anodyne O=C(NCC1(COc2cnccn2)C[C@H](O)[C@@H](O)C1)C1CCCC1 ZINC000299842578 EC Annotated Anodyne COc1cc(N2C[C@H]3OCC[C@@H]3[C@H](C(=O)NCC3CC3)C2)ncn1 ZINC000299842584 EC Annotated Anodyne Cc1cc(CN2C[C@H]3CCCO[C@@H]3[C@H](NS(C)(=O)=O)C2)no1 ZINC000299842586 EC Annotated Anodyne Cn1ccnc1C(=O)N[C@H]1CN(CC2CCOCC2)[C@H]2CCCO[C@@H]12 ZINC000299842593 EC Annotated Anodyne CN1CCN([C@H]2CCN([C@@H]3CCOC3)[C@@H]2Cc2cnn(C)c2)CC1 ZINC000299842669 EC Annotated Anodyne CN1CCN([C@H]2CCN([C@H]3CCOC3)[C@@H]2Cc2cnn(C)c2)CC1 ZINC000299842670 EC Annotated Anodyne CO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H]1Cc1ccncc1 ZINC000299842674 EC Annotated Anodyne CN(C)[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H]1Cc1cccnc1 ZINC000299842678 EC Annotated Anodyne O=C([C@H]1COC[C@@H]2CN(c3ncc(F)cn3)C[C@H]21)N1CCOCC1 ZINC000299842715 EC Annotated Anodyne Cc1cccc(CN2C[C@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)n1 ZINC000299842734 EC Annotated Anodyne CS(=O)(=O)NC[C@H]1OC[C@H]2CN(C(=O)c3ccccn3)CC[C@@H]12 ZINC000299842745 EC Annotated Anodyne CS(=O)(=O)N1CC[C@H]2[C@@H](C[C@@H](Cn3cncn3)N2CC2CC2)C1 ZINC000299842761 EC Annotated Anodyne CNc1ncc(-c2csc(NC(=O)C[C@H]3COCCN3)n2)cn1 ZINC000299842764 EC Annotated Anodyne Cn1cc(C(=O)N[C@H]2CN(Cc3cccnc3)[C@H]3CCCO[C@@H]23)cn1 ZINC000299842769 EC Annotated Anodyne CC(C)N1[C@@H](C(=O)NCCN(C)C)C[C@H]2CN(c3ncccn3)C[C@@H]21 ZINC000299842779 EC Annotated Anodyne Cn1cnc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c1 ZINC000299842905 EC Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(C)c3)C[C@@H]2N1C ZINC000299842910 EC Annotated Anodyne COCCNC(=O)C[C@H]1COC[C@H]2CN(CC3CCOCC3)C[C@@H]12 ZINC000299842929 EC Annotated Anodyne CCN1CC[C@]2(C(=O)N3CCOCC3)CCN(C(=O)NC)CC[C@@H]12 ZINC000299843037 EC Annotated Anodyne CC1=N[C@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@H]32)C(=O)N1CC1CC1 ZINC000299843053 EC Annotated Anodyne Cn1cc(C(=O)NC[C@H]2OC[C@H]3CCN(C4CCOCC4)C[C@H]32)cn1 ZINC000299843055 EC Annotated Anodyne CN(C)CCN1CC[C@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@H]21 ZINC000299843059 EC Annotated Anodyne COc1ncccc1CN1C[C@H]2COC[C@@]2(COCC(=O)N(C)C)C1 ZINC000299843081 EC Annotated Anodyne Cc1nc(CN2C[C@H]3CN(C(=O)c4ccnnc4)C[C@@H]3C2=O)cs1 ZINC000299843122 EC Annotated Anodyne Cc1nnc(N2CC[C@H]3C[C@H](C(=O)N4CCOCC4)O[C@@H]3C2)s1 ZINC000299843140 EC Annotated Anodyne Cn1cc(CN2C[C@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)cn1 ZINC000299843144 EC Annotated Anodyne CNC(=O)C1(N2CCC[C@@H]2C(=O)NC2CCOCC2)CCOCC1 ZINC000299843147 EC Annotated Anodyne CN(C)CCNC(=O)[C@H]1C[C@H]2CN(C(=O)NC3CCCC3)C[C@@H]1O2 ZINC000299843155 EC Annotated Anodyne Cc1noc(C)c1CN1C[C@H]2COC[C@H](C(=O)N3CCOCC3)[C@@H]2C1 ZINC000299843178 EC Annotated Anodyne CN(C)C(=O)CO[C@H]1CN(Cc2ccc3c(c2)OCO3)[C@H]2COC[C@@H]12 ZINC000299843273 EC Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(Cc3cccnc3OC)C[C@@H]2N1C(C)=O ZINC000299843286 EC Annotated Anodyne CCS(=O)(=O)N[C@H]1CN(Cc2cc(C)on2)C[C@H]2CCCO[C@@H]12 ZINC000299843288 EC Annotated Anodyne CCS(=O)(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC000299843304 EC Annotated Anodyne CN1CCN(C(=O)[C@H]2CC[C@H]3[C@@H](CCN3c3ncccn3)O2)CC1 ZINC000299843313 EC Annotated Anodyne CCN1CC[C@]2(C(=O)N3CCCC3)CCN(S(C)(=O)=O)CC[C@@H]12 ZINC000299843376 EC Annotated Anodyne CN1CCN(C[C@H]2OC[C@H]3CCN(C(=O)c4cnccn4)C[C@H]32)CC1 ZINC000299843489 EC Annotated Anodyne O=C1C[C@H]2[C@H](CCN2C(=O)c2ccccc2)N1CCN1CCOCC1 ZINC000299843541 EC Annotated Anodyne O=S(=O)(C1CC1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@H]21 ZINC000299843570 EC Annotated Anodyne O=S(=O)(NC[C@@]12COC[C@@H]1CN(c1ncc(F)cn1)C2)C1CC1 ZINC000299843572 EC Annotated Anodyne Cc1ccnc(C(=O)N2C[C@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)c1 ZINC000299843584 EC Annotated Anodyne O=C(c1ccnnc1)N1C[C@H]2OCCN(CCN3CCCC3)[C@@H]2C1 ZINC000299843594 EC Annotated Anodyne COCCNC(=O)[C@H]1C[C@H]2CCN(Cc3nccs3)C[C@@H]2O1 ZINC000299843606 EC Annotated Anodyne CO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H]1Cc1cnn(C)c1 ZINC000299843616 EC Annotated Anodyne CN1CCN([C@H]2CCN(C[C@H]3CCOC3)[C@@H]2Cc2cnn(C)c2)CC1 ZINC000299843644 EC Annotated Anodyne CN1CCN([C@H]2CCN(C[C@@H]3CCOC3)[C@@H]2Cc2cnn(C)c2)CC1 ZINC000299843645 EC Annotated Anodyne COc1ncccc1CN1C[C@H]2COC[C@@]2(CNS(C)(=O)=O)C1 ZINC000299843655 EC Annotated Anodyne O=C1CO[C@H]2CN(CC3CCOCC3)C[C@@H]2N1Cc1ccncc1 ZINC000299843660 EC Annotated Anodyne CCN1C[C@@H]2[C@@H](C1)[C@H](OC)CCN2S(=O)(=O)c1cccnc1 ZINC000299843767 EC Annotated Anodyne O=S(=O)(C1CC1)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 ZINC000299843785 EC Annotated Anodyne CNC(=O)[C@@H]1CNCCN1C(=O)c1ccc(C(F)(F)F)nc1C ZINC000299843850 EC Annotated Anodyne CNC(=O)[C@H]1CNCCN1C(=O)c1ccc(C(F)(F)F)nc1C ZINC000299843851 EC Annotated Anodyne COCCOC[C@]1(CNCc2cccc(OC)c2)C[C@H](O)[C@H](O)C1 ZINC000299843897 EC Annotated Anodyne CN1CCN([C@H]2CCN(C3CCOCC3)[C@@H]2Cc2cnn(C)c2)CC1 ZINC000299843912 EC Annotated Anodyne COc1ccc([C@@H](C)NNC(=O)c2cc[n+]([BH2-]C#N)cc2)c(OC)c1 ZINC000299844847 EC Annotated Reactive COc1ccc([C@H](C)NNC(=O)c2cc[n+]([BH2-]C#N)cc2)c(OC)c1 ZINC000299844848 EC Annotated Reactive CC(C)NC(=O)[C@H]1CCc2nnc(CNC(=O)c3cccnc3)n21 ZINC000299849834 EC Annotated Anodyne CC(C)NC(=O)[C@@H]1CCc2nnc(CNC(=O)c3cccnc3)n21 ZINC000299849835 EC Annotated Anodyne CC(C)(C)C(=O)N1CC[C@]2(CNS(=O)(=O)c3cnccc3O2)C1 ZINC000299849872 EC Annotated Anodyne CC(C)(C)C(=O)N1CC[C@@]2(CNS(=O)(=O)c3cnccc3O2)C1 ZINC000299849873 EC Annotated Anodyne CN1CCN(CC2CC2)C(=O)c2cnc(N3CCC(CO)CC3)nc21 ZINC000299849926 EC Annotated Anodyne CN1CC(=O)N(C2CCNCC2)Cc2c(NC3CCC3)ncnc21 ZINC000299850241 EC Annotated Anodyne CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n[nH]1 ZINC000299850242 EC Annotated Anodyne Cc1cc(N2CCN(C3CCOCC3)C[C@H](C(=O)N(C)C)C2)ncn1 ZINC000299850328 EC Annotated Anodyne Cc1cc(N2CCN(C3CCOCC3)C[C@@H](C(=O)N(C)C)C2)ncn1 ZINC000299850329 EC Annotated Anodyne CC(=O)N1CCC(c2nccnc2CNC(=O)c2cc[nH]n2)CC1 ZINC000299850414 EC Annotated Anodyne CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1cccnc1OC ZINC000299850729 EC Annotated Anodyne CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cccnc1OC ZINC000299850730 EC Annotated Anodyne CCc1noc(CCC(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)n1 ZINC000299850786 EC Annotated Anodyne Nc1nc(N)c2c(n1)O[C@@]1(COCCN(Cc3nccs3)C1)C2 ZINC000299850972 EC Annotated Anodyne Nc1nc(N)c2c(n1)O[C@]1(COCCN(Cc3nccs3)C1)C2 ZINC000299850973 EC Annotated Anodyne CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)c2ccn(C)n2)c1 ZINC000299850981 EC Annotated Anodyne CNC(=O)c1cccc([C@H]2CNCCN2C(=O)c2ccn(C)n2)c1 ZINC000299850983 EC Annotated Anodyne CN1C(=O)[C@H](OC(N)=O)[C@@H](C(=O)Nc2ccccc2)C12CCNCC2 ZINC000299851090 EC Annotated Anodyne O=C(N1CCOCC1)N1C2CCC(O)(CC2)[C@@H]1CN1CCOCC1 ZINC000299851105 EC Annotated Anodyne O=C(N1CCOCC1)N1C2CCC(O)(CC2)[C@H]1CN1CCOCC1 ZINC000299851106 EC Annotated Anodyne CN(C)S(=O)(=O)N1CCC(C)(c2ncc(C(N)=O)s2)CC1 ZINC000299851132 EC Annotated Anodyne CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1O ZINC000299851520 EC Annotated Anodyne CC(C)n1ccnc1CN1CCO[C@](C)(C(=O)N2CCOCC2)C1 ZINC000299851523 EC Annotated Anodyne CC(C)n1ccnc1CN1CCO[C@@](C)(C(=O)N2CCOCC2)C1 ZINC000299851524 EC Annotated Anodyne CN(C(=O)C1CCOCC1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000299851546 EC Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ccnc3nccn23)c1 ZINC000299851547 EC Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2ccnc3nccn23)c1 ZINC000299851548 EC Annotated Anodyne COc1ccc(CN2CC[C@@]3(C2)[C@H](O)CN(C)S3(=O)=O)cc1F ZINC000299851679 EC Annotated Anodyne CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)CC(C)C)CC2 ZINC000299852260 EC Annotated Anodyne COc1cccc(OC)c1C(=O)N1CC(=O)N(C2CCC2)C[C@H](O)C1 ZINC000299852302 EC Annotated Anodyne COc1cccc(OC)c1C(=O)N1CC(=O)N(C2CCC2)C[C@@H](O)C1 ZINC000299852303 EC Annotated Anodyne CN1CC(=O)N([C@@H]2CCCNC2)Cc2c(NC3CCC3)ncnc21 ZINC000299852376 EC Annotated Anodyne CN1CC(=O)N([C@H]2CCCNC2)Cc2c(NC3CCC3)ncnc21 ZINC000299852377 EC Annotated Anodyne CO[C@@H]1CN(C(=O)NCC(N)=O)CCC(=O)N(C)c2ccccc21 ZINC000299852442 EC Annotated Anodyne CO[C@H]1CN(C(=O)NCC(N)=O)CCC(=O)N(C)c2ccccc21 ZINC000299852443 EC Annotated Anodyne N=C(N)NC(=O)c1cnn(-c2cccc3[nH]c(=O)[nH]c23)c1C1CC1 ZINC000299853229 EC Annotated Anodyne N=C1N[C@@H](C23CC4C[C@](O)(C2)C[C@@](O)(C4)C3)C(=O)N2[C@H]3C[C@H]3C[C@H]12 ZINC000299853253 EC Annotated Anodyne COCc1c(C(=O)NC(=N)N)cnn1-c1cccc2nc(O)ccc12 ZINC000299854271 EC Annotated Anodyne CO[C@@H]1CCN(C(=O)NCC(N)=O)CC(=O)N(C)c2ccccc21 ZINC000299864549 EC Annotated Anodyne CO[C@H]1CCN(C(=O)NCC(N)=O)CC(=O)N(C)c2ccccc21 ZINC000299864550 EC Annotated Anodyne CC(=O)N(O)CCCS(=O)(=O)NC(=O)CCc1ccccc1 ZINC000299869479 EC Annotated Anodyne CC1(C)C[C@]12NC(=O)N(CCNS(=O)(=O)c1cccs1)C2=O ZINC000299871633 EC Annotated Anodyne CC1(C)C[C@@]12NC(=O)N(CCNS(=O)(=O)c1cccs1)C2=O ZINC000299871634 EC Annotated Anodyne COc1cc(OC)c(OC)cc1C=NNC(=O)C[C@H]1C(=O)NN=C1C ZINC000299872458 EC Annotated Reactive COc1cc(OC)c(OC)cc1C=NNC(=O)C[C@@H]1C(=O)NN=C1C ZINC000299872459 EC Annotated Reactive CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@H]3CCSC3=O)n2)C1 ZINC000299877524 EC Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@@H]3CCSC3=O)n2)C1 ZINC000299877525 EC Annotated Anodyne Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1N[C@@H]1CCSC1=O ZINC000299882920 EC Annotated Anodyne Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1N[C@H]1CCSC1=O ZINC000299882921 EC Annotated Anodyne O=C1OCC(CO)(CO)N/C1=N/Nc1cc(Cl)ccc1Cl ZINC000003178102 EC Annotated Mild CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)C2=COCCO2)C1 ZINC000003225314 EC Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)C2=COCCO2)C1 ZINC000003225315 EC Annotated Anodyne NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003285707 EC Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O ZINC000301054991 EC Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H]1OC(C)=O ZINC000301054992 EC Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@](C)(OC(C)=O)[C@H]1OC(C)=O ZINC000301054993 EC Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@H](O)C3=CCN(C2)[C@H]31 ZINC000030727846 EC Annotated Anodyne in-vitro C=[S@](C)[C@@H]1O[C@@H]2CO[C@H](c3ccc(OC)cc3)O[C@@H]2[C@@H](O)[C@H]1O ZINC000306146091 EC Annotated Anodyne C=[S@](C)[C@@H]1O[C@@H]2CO[C@H](c3ccc(OC)cc3)O[C@@H]2[C@H](O)[C@H]1O ZINC000306146092 EC Annotated Anodyne C=C[C@](C)(CC/C=C(\C)C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000031159761 EC Annotated Mild C=C[C@@](C)(CC/C=C(\C)C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000031159765 EC Annotated Mild C[C@H]1C[C@H]([C@@H](O)C[C@@H]2CCC(=O)NC2=O)/C(=N/NC(N)=O)[C@H](C)C1 ZINC000031343065 EC Annotated Reactive C[C@@H]1C[C@H]([C@@H](O)C[C@@H]2CCC(=O)NC2=O)/C(=N/NC(N)=O)[C@H](C)C1 ZINC000031343069 EC Annotated Reactive C=C1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000031375406 EC Annotated Mild CC(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12 ZINC000031502679 EC Annotated Anodyne COc1cc2c(cc1OC)[C@@](C)([C@@H](O)[C@@H](O)C(C)(C)O)NCC2 ZINC000031854042 EC Annotated Anodyne COc1cc2c(cc1OC)[C@@](C)([C@H](O)[C@@H](O)C(C)(C)O)NCC2 ZINC000031854045 EC Annotated Anodyne COc1cc2c(cc1OC)[C@@](C)([C@@H](O)[C@H](O)C(C)(C)O)NCC2 ZINC000031854048 EC Annotated Anodyne COc1cc2c(cc1OC)[C@@](C)([C@H](O)[C@H](O)C(C)(C)O)NCC2 ZINC000031854051 EC Annotated Anodyne CC1(C)OC[C@@H]2O[C@]3(c4nc(C#N)c(N)o4)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000031871513 EC Annotated Mild CC1(C)OC[C@H]2O[C@]3(c4nc(C#N)c(N)o4)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000031871515 EC Annotated Mild COC[C@@H]1O[C@H](S(=O)(=O)c2ccccc2)[C@@H](O)[C@@H](OC)[C@@H]1OC ZINC000031904777 EC Annotated Anodyne COC[C@H]1O[C@H](S(=O)(=O)c2ccccc2)[C@@H](O)[C@@H](OC)[C@@H]1OC ZINC000031904778 EC Annotated Anodyne COc1c2c(cc3c1[C@@H]1[C@H](O[C@@H]3O)[C@@H](O)C=C3CCN(C)[C@@H]31)OCO2 ZINC000032153477 EC Annotated Anodyne C=C1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@@H]23 ZINC000032154370 EC Annotated Mild COC1=CC(=O)[C@]2(CC[C@]34NCC[C@@]32CC(=O)C(OC)=C4OC)[C@@H]1O ZINC000032296398 EC Annotated Mild CC[C@H](c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1 ZINC000032303889 EC Annotated Anodyne CC[C@@H](c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1 ZINC000032303890 EC Annotated Anodyne CC(C)c1n[nH]c2c1CN(C(=O)c1cc(=O)n(C)c(=O)n1C)CC2 ZINC000032577691 EC Annotated Anodyne COc1cc2c(c3c1C1=C(C(=O)CC1)C(=O)C3)[C@H]([C@@H](O)CO)CO2 ZINC000032841032 EC Annotated Mild in-man endogenous COc1cc2c(c3c1C1=C(C(=O)CC1)C(=O)C3)[C@@H]([C@@H](O)CO)CO2 ZINC000032841033 EC Annotated Mild in-man endogenous COc1cc2c(c3c1C1=C(C(=O)CC1)C(=O)C3)[C@H]([C@H](O)CO)CO2 ZINC000032841034 EC Annotated Mild in-man endogenous COc1cc2c(c3c1C1=C(C(=O)CC1)C(=O)C3)[C@@H]([C@H](O)CO)CO2 ZINC000032841035 EC Annotated Mild in-man endogenous CCCc1c(C(=O)N/N=C\c2ccncc2)nnn1-c1nonc1N ZINC000033345681 EC Annotated Reactive CC(C)c1c(C(=O)N/N=C\c2ccoc2)nnn1-c1nonc1N ZINC000033364331 EC Annotated Reactive C[C@@H](OP(=O)(O)O)[C@H](N[C@@H](O)CCCCCCS)C(=O)O ZINC000033510054 EC Annotated Mild CN1C=C2C(=C(Br)C(=O)C3=C2S(=O)(=O)CCN3)CC1 ZINC000033800739 EC Annotated Mild CC(=O)NCCCC[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000033816181 EC Annotated Anodyne CC(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@H]12)C(C)C ZINC000033830188 EC Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCN(C=O)CCCN21 ZINC000033833226 EC Annotated Anodyne CC[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCN(C=O)CCCN21 ZINC000033833227 EC Annotated Anodyne CC[C@H](O)[C@H]1C=CC[C@H]2CC(=O)NCCCCN(C=O)CCCN21 ZINC000033833228 EC Annotated Anodyne CC[C@@H](O)[C@H]1C=CC[C@H]2CC(=O)NCCCCN(C=O)CCCN21 ZINC000033833229 EC Annotated Anodyne COc1ccc(CCc2cc(=O)c3c(o2)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)cc1 ZINC000033833986 EC Annotated Anodyne in-vitro biogenic CO[C@@H]1c2oc(CCc3ccccc3)cc(=O)c2[C@H](O)[C@@H](O)[C@H]1O ZINC000033834074 EC Annotated Anodyne in-vitro biogenic O=c1[nH]cc([C@@H](CI)OCCF)c(=O)[nH]1 ZINC000033834686 EC Annotated Reactive O=c1[nH]cc([C@H](CI)OCCF)c(=O)[nH]1 ZINC000033834687 EC Annotated Reactive CN(C)CC1=c2oc(=O)/c(=C3/Nc4ccccc4N3C)cc2C=CC1=O ZINC000033849573 EC Annotated Mild COc1ccccc1OC[C@H]1N(C(=O)C[S@](C)=O)CC[S@@]1=O ZINC000033895236 EC Annotated Anodyne CC(=O)[C@@]12O[C@@]3(C)OCC[C@]3(O1)O[C@]1(C(C)=O)O[C@H]2CC[C@H]1O ZINC000033913527 EC Annotated Anodyne CC(=O)NNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n1C ZINC000033917536 EC Annotated Reactive CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C ZINC000033943502 EC Annotated Anodyne COc1ccc(/C=c2/c(=O)[nH]/c(=C\c3ccccc3)c(=O)n2C)cc1 ZINC000033968772 EC Annotated Anodyne Cc1c(N2CC[C@H](CN)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000034021482 EC Annotated Anodyne Cc1c(N2CC[C@@H](CN)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000034021483 EC Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C ZINC000034148622 EC Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C ZINC000034148624 EC Annotated Anodyne CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C ZINC000034148640 EC Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C ZINC000034148993 EC Annotated Anodyne CN1CN(C)c2nc3n(Cc4ccccc4)c(O)cc(=O)n3c2C1=O ZINC000034168913 EC Annotated Anodyne CC(=O)O[C@H]1[C@@H]2CCO[C@@H]3OC[C@@](OC(C)=O)([C@@H]32)[C@@H]1OC(C)=O ZINC000034300397 EC Annotated Anodyne CCCCn1cnc2c1N=CN1C2=N[C@](C)(C(=O)O)[C@@H](O)[C@@]1(C)O ZINC000034432767 EC Annotated Anodyne O=C(O)CCC(=O)Nc1cc2c(=O)n(O)c(=O)[nH]c2cc1Cl ZINC000034633884 EC Annotated Anodyne C[C@@H]1OC(=O)CC[C@@H](O)[C@H](C)OC(=O)C[C@@H](C)OC(=O)/C=C/[C@H]1O ZINC000034647020 EC Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3C#N)c(CN)c(N)nc2n(C)c1=O ZINC000034658919 EC Annotated Mild O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2ccc(F)c(F)c2c1=O ZINC000034790491 EC Annotated Anodyne Cc1sc2nc[nH]c(=O)c2c1S(=O)(=O)N1CCN(C)CC1 ZINC000034792491 EC Annotated Anodyne O=C(NCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1 ZINC000034809482 EC Annotated Bother O=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1cccs1 ZINC000034870825 EC Annotated Reactive CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccncc2)[nH]c1=O ZINC000034987646 EC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccco2)[nH]c1=O ZINC000034987648 EC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccsc2)[nH]c1=O ZINC000034987739 EC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccs2)[nH]c1=O ZINC000034987852 EC Annotated Anodyne CC(=O)N[C@@H](CSC(C)=O)C(=O)NCCSC(=O)C(C)C ZINC000003589829 EC Annotated Anodyne Cc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000003628170 EC Annotated Anodyne CCc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000003628172 EC Annotated Anodyne Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-n2cnnc2)cc1 ZINC000003634601 EC Annotated Anodyne aggregator CN[C@@H]1Cn2c3c(c(COC(N)=O)c2[C@@H]1O)C(=O)C(OC)=C(C)C3=O ZINC000003635594 EC Annotated Mild CN[C@@H]1Cn2c3c(c(COC(N)=O)c2[C@H]1O)C(=O)C(OC)=C(C)C3=O ZINC000003635595 EC Annotated Mild O=S(=O)(O)Oc1cc2c(ccn2S(=O)(=O)O)c(Cl)c1O ZINC000003640033 EC Annotated Anodyne O/N=C\c1cc[n+](COCCOC[n+]2ccc(/C=N\O)cc2)cc1 ZINC000003640722 EC Annotated Mild N[C@@H]1CCN(c2nc3c(C4CC4)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000003779859 EC Annotated Anodyne O=C1N[C@@H](C(=O)NCCO[N+](=O)[O-])[C@@H](Cc2ccccc2)S1 ZINC000003782376 EC Annotated Anodyne C[C@H]1C(/C=C/C[n+]2ccccc2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000003797425 EC Annotated Anodyne Cc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CCOCC2)ccc1F ZINC000003818457 EC Annotated Anodyne in-vivo CNC(=O)[C@@H]1CCCNN1C(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO ZINC000003823390 EC Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[C@H](O)COc4ccccc4)C(=O)[C@@H]13)O2 ZINC000003863362 EC Annotated Anodyne C[C@@H](OP(=O)(O)O)[C@H](NC(=O)CCCCCCS)C(=O)O ZINC000003869535 EC Annotated Mild in-vitro Cc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000003905345 EC Annotated Anodyne Cc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000003905346 EC Annotated Anodyne CCc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000003905347 EC Annotated Anodyne CCc1nnc(NC(=O)NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000003905348 EC Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nncs1 ZINC000003905713 EC Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1nncs1 ZINC000003905714 EC Annotated Anodyne Cc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000003905715 EC Annotated Anodyne Cc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000003905716 EC Annotated Anodyne CC1=C[C@H](O)[C@@H]2[C@@](O)(CC[C@@]34O[C@@]23[C@H](O)c2cccc(O)c2C4=O)C1 ZINC000003914069 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C=O)nn3)c(F)c2)C(=O)O1 ZINC000003918635 EC Annotated Anodyne CCOC(=O)C[n+]1cc(CO)c(/C=N/Nc2ccccn2)c(O)c1C ZINC000003924406 EC Annotated Mild CCOC(=O)C[n+]1cc(CO)c(/C=N/Nc2ncccn2)c(O)c1C ZINC000003924408 EC Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N(C)C)S[C@H]12 ZINC000003927505 EC Annotated Anodyne CS(=O)(=O)CCOP(=O)(NCCCl)NCCCl ZINC000003962992 EC Annotated Reactive CS(=O)(=O)CCO[P@](N)(=O)N(CCCl)CCCl ZINC000003962993 EC Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc3c(c2)C[C@@H](C)N3C(=O)CO)C(=O)O1 ZINC000003965100 EC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)C)[C@H](C)[C@H]12 ZINC000003975621 EC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCN(C=O)CC3)C(=O)O1 ZINC000003980065 EC Annotated Anodyne C=Cc1cn([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)nc1N ZINC000003993554 EC Annotated Anodyne COC(=O)C[C@@H](OC)[C@@H]1O[C@H](c2ccccc2)[C@@H](O)[C@@H]1OC(C)=O ZINC000035028855 EC Annotated Anodyne CCCCO[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000035066225 EC Annotated Anodyne N[C@H](C(=O)NO)C(=O)N1CCC2(CCNc3ccccc3O2)CC1 ZINC000035269444 EC Annotated Bother N[C@@H](C(=O)NO)C(=O)N1CCC2(CCNc3ccccc3O2)CC1 ZINC000035269445 EC Annotated Bother C=[S@@](C)[C@@H]1O[C@@H]2CO[C@H](c3ccc(OC)cc3)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000035644294 EC Annotated Anodyne CC(C)C[C@@](O)(C(=O)OC[C@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O ZINC000035906181 EC Annotated Bother CC1(C)O[C@@H]2[C@H](O1)[C@@H](O)C[C@@H]1c3cc4c(cc3C(=O)N[C@@H]21)OCO4 ZINC000035949762 EC Annotated Anodyne CC1(C)O[C@H]2[C@@H]3NC(=O)c4cc5c(cc4C3=C[C@H](O)[C@H]2O1)OCO5 ZINC000035978725 EC Annotated Anodyne Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCN(C)CC1 ZINC000036075314 EC Annotated Anodyne COCCCNc1nc2nonc2nc1N1CCN2CCC[C@H]2C1 ZINC000036385661 EC Annotated Anodyne CCCCNS(=O)(=O)/N=C(\O)C1=C(N2CCCC2)COC1=O ZINC000036388862 EC Annotated Mild O=C1OCC(N2CCCC2)=C1/C(O)=N/S(=O)(=O)N1CCCC1 ZINC000036388863 EC Annotated Mild CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)CNC(=O)[C@@]12C ZINC000036388981 EC Annotated Anodyne O=C(O)CCCCCCCC[C@H]1O[C@]2(O)CC[C@H](O)[C@]2(O)[C@@H]1O ZINC000036472824 EC Annotated Anodyne COCCNC(=O)c1nc(N)c2nc(O)n(Cc3ccccc3)c2n1 ZINC000036520199 EC Annotated Anodyne C=CCNC(=S)N/N=C/c1ccc2c(c1)n(O)c(C#N)c(N)[n+]2=O ZINC000377364996 EC Annotated Mild Cc1ccc2c(c1)n(O)c(NCCNCn1ccc(C#N)c1)n[n+]2=O ZINC000377799859 EC Annotated Mild CC(C)(C)c1ccc2c(c1)n(O)c(NCCN1CCOCC1)n[n+]2=O ZINC000377799871 EC Annotated Anodyne COc1ccc2c(c1)n(O)c(NCCCn1ccc(C#N)c1)n[n+]2=O ZINC000377799878 EC Annotated Mild CCOc1ccc2c(c1)n(O)c(NCCN1CCCCC1)n[n+]2=O ZINC000377799889 EC Annotated Anodyne CCCCNC(=O)N/N=C/c1ccc2c(c1)n(O)c(C#N)c(N)[n+]2=O ZINC000377806426 EC Annotated Reactive CN1CCN(c2ccc3c(c2)n2ncc([N+](=O)[O-])c2[nH][n+]3=O)CC1 ZINC000377811503 EC Annotated Bother O=C(NCCCCN=c1[nH]c2ccccc2[n+](=O)[nH]1)C(F)(F)F ZINC000377813291 EC Annotated Anodyne O=[n+]1nc(NCCCN2CCOCC2)n(O)c2cc3c(cc21)CCC3 ZINC000377823288 EC Annotated Anodyne O=[n+]1nc(NCCN2CCCCC2)n(O)c2cc3c(cc21)CCC3 ZINC000377823290 EC Annotated Anodyne C[N+]1(C)CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377830162 EC Annotated Bother CC(C)N(C(=O)OC(C)(C)C)[N+](=O)NOCCS(C)(=O)=O ZINC000377845083 EC Annotated Reactive CC(C)N[N+](=O)NOCCS(=O)(=O)NOCc1ccccc1 ZINC000377845195 EC Annotated Anodyne NC(=O)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccncc3)cc12 ZINC000377845416 EC Annotated Anodyne CCOC(=O)N1CCN([N+](=O)NOc2ccc(C#N)cc2C#N)CC1 ZINC000377850286 EC Annotated Mild CCc1n[n+](=O)c2cc3c(cc2n1O)C[C@@H](CN1CCOCC1)C3 ZINC000377866689 EC Annotated Anodyne CCc1n[n+](=O)c2cc3c(cc2n1O)C[C@H](CN1CCOCC1)C3 ZINC000377866690 EC Annotated Anodyne COC(=O)c1cc(N=c2cc(C)n(C)c(N)n2)cc(C(=O)OC)c1 ZINC000377871781 EC Annotated Anodyne O=C(O)[C@H]1CCCN1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000378655027 EC Annotated Bother O=C(O)[C@@H]1CCCN1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000378655028 EC Annotated Bother CC(C)c1ccc2c(c1)n(O)c(NCCN1CCOCC1)n[n+]2=O ZINC000379420240 EC Annotated Anodyne CC(=O)/C=C1/C(=O)N2[C@@H](C(=O)OC(C)(C)C)C(C)(C)[S@](=O)[C@H]12 ZINC000038148913 EC Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NNC(=O)Cc2cc(O)[nH]n2)C=C1 ZINC000038206935 EC Annotated Reactive COc1ccccc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C ZINC000038223874 EC Annotated Anodyne CC[C@@](C)(O)C[C@@H](C)/C=C\[C@H]1O[C@@H]2[C@@H](C(=O)O[C@@H]2C)[C@@H](O)[C@@H]1O ZINC000038229998 EC Annotated Anodyne C[C@@H](OP(=O)(O)O)[C@H](N[C@H](O)CCCCCCS)C(=O)O ZINC000038321465 EC Annotated Mild CN(C)CCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000038441712 EC Annotated Anodyne CN(C)CCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000038441713 EC Annotated Anodyne CC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](O)[C@@H]3[C@H](C)C(=O)O[C@@H]3C[C@@H](C)[C@H]12 ZINC000038482941 EC Annotated Anodyne C[C@@H]1OC(=O)C[C@@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)OC(=O)CCC1=O ZINC000038493733 EC Annotated Anodyne CC1=CC(=O)O[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000038541738 EC Annotated Mild in-vitro biogenic CC[C@](C)(O)C[C@@H](C)/C=C\[C@@H]1O[C@@H]2[C@H](C)OC(=O)[C@@H]2[C@H](O)[C@H]1O ZINC000038607362 EC Annotated Anodyne CN1C(=O)N[C@@H]2[C@H]3NC(=O)c4ccc(Br)n4[C@H]3C[C@@]21O ZINC000038694565 EC Annotated Anodyne C[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)CN([C@H](C)C(=O)O)C3=O)O1 ZINC000038784124 EC Annotated Clean C[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)C(=O)N([C@H](C)C(=O)O)C3=O)O1 ZINC000038929500 EC Annotated Anodyne N[C@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C(=O)N1CCCC1 ZINC000038972784 EC Annotated Anodyne in-vivo Nc1nc2cc3[nH]c(NCCN4CCOCC4)nc3cc2c(=O)[nH]1 ZINC000039054426 EC Annotated Anodyne in-vivo C[N+](C)(C)CC(=O)NCC(=O)NCC[N+]1(C)CCc2ccccc2C1 ZINC000039064274 EC Annotated Mild CC(=O)O[C@H]1[C@@]2(C)C(=O)OC[C@@]2(C)[C@@]2(O)CC[C@]3(C)OC(=O)C[C@@]132 ZINC000039137272 EC Annotated Anodyne in-vitro biogenic N#Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 ZINC000039221286 EC Annotated Mild CCOC(=O)C(=O)Nc1cc(C#N)cc(NC(=O)C(=O)OCC)c1 ZINC000039333563 EC Annotated Mild CC(=O)c1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1 ZINC000039333578 EC Annotated Anodyne CC(C)(CO)NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F ZINC000039364293 EC Annotated Anodyne CC(C)(CO)NC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F ZINC000039364294 EC Annotated Anodyne COC(=O)[C@H]1CCCN1CP(=O)(O)CN1CCC[C@@H]1C(=O)OC ZINC000004011958 EC Annotated Anodyne O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCCC1 ZINC000004076591 EC Annotated Anodyne COc1c2c(cc3c1OCO3)[C@@]13[C@H](O)CN(C2)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]13 ZINC000004097646 EC Annotated Anodyne in-vitro CC1=CC(=O)[C@@]2(C)C1=CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000004097791 EC Annotated Mild in-vitro biogenic Cc1nnc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000004124934 EC Annotated Anodyne Cc1nnc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000004124935 EC Annotated Anodyne Cc1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138738 EC Annotated Anodyne CNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160497 EC Annotated Anodyne Cn1c(SCC(N)=O)nnc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000004160846 EC Annotated Anodyne CCCn1c(SCC(=O)NC(=O)NCc2ccco2)n[nH]c1=O ZINC000004198226 EC Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)N1 ZINC000004214419 EC Annotated Anodyne O=c1cnc2cnc(N3CCNCC3)nc2n1CCc1ccccc1 ZINC000004238368 EC Annotated Anodyne COc1ccc(-n2c(=O)cnc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238402 EC Annotated Anodyne O=c1cnc2cnc(N3CCNCC3)nc2n1Cc1cccs1 ZINC000004238476 EC Annotated Anodyne O=c1cnc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1 ZINC000004238722 EC Annotated Anodyne CN1CCN(c2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)CC1 ZINC000004238890 EC Annotated Anodyne Cc1nc2cnc(N3CCN(C)CC3)nc2n(C[C@H]2CCCO2)c1=O ZINC000004238982 EC Annotated Anodyne Cn1c(=O)c(-c2cccs2)nc2cnc(N3CCNCC3)nc21 ZINC000004238987 EC Annotated Anodyne Cc1nc2cnc(N3CCOCC3)nc2n(C[C@H]2CCCO2)c1=O ZINC000004238998 EC Annotated Anodyne Cc1c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)n(C)c(=O)n1C ZINC000004337724 EC Annotated Anodyne Cc1c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)n(C)c(=O)n1C ZINC000004337726 EC Annotated Anodyne O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1COCCO1 ZINC000004375254 EC Annotated Anodyne O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1COCCO1 ZINC000004375256 EC Annotated Anodyne CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1[C@@H]3N1C ZINC000040374968 EC Annotated Mild CC(=O)NCCSC(=O)CNC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000040379049 EC Annotated Anodyne CC#CC(=O)N[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000040379667 EC Annotated Mild Cc1ccc(S(=O)(=O)NN2C(=O)C(=O)N=C2c2ccccn2)cc1 ZINC000040380320 EC Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCS(=O)(=O)CC2)s1 ZINC000040380781 EC Annotated Bother Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)c1c(O)cccc1C3=O ZINC000040392238 EC Annotated Clean CC(C)C[C@@]1(O)NC(=O)[C@@]2(OC(Cc3ccccc3)=CC2=O)[C@H]1O ZINC000040395561 EC Annotated Mild CC(C)C[C@]1(O)NC(=O)[C@@]2(OC(Cc3ccccc3)=CC2=O)[C@H]1O ZINC000040395562 EC Annotated Mild CC(C)C[C@@]1(O)NC(=O)[C@@]2(OC(Cc3ccccc3)=CC2=O)[C@@H]1O ZINC000040395563 EC Annotated Mild CC(C)C[C@]1(O)NC(=O)[C@@]2(OC(Cc3ccccc3)=CC2=O)[C@@H]1O ZINC000040395564 EC Annotated Mild CC(C)OCCCNc1nc(OCCN)cc(OCCN(C)C)n1 ZINC000040395683 EC Annotated Anodyne CO[C@@H]1[C@@]23C=CC(=O)C(O)=C2OC[C@]1(O)Cc1cc(O)c(O)cc13 ZINC000040403612 EC Annotated Mild CC[C@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@@H]3O ZINC000040403626 EC Annotated Anodyne CO[C@H]1[C@@]23C=CC(=O)C(O)=C2OC[C@]1(O)Cc1cc(O)c(O)cc13 ZINC000040407654 EC Annotated Mild CO[C@@]1(C(=O)c2ccccc2)N=C(O)[C@]2(OC(C=O)=C(C)C2=O)[C@H]1O ZINC000040408695 EC Annotated Reactive CC(=O)OC[C@H](OC(C)=O)c1c[nH]c2c1C(=O)C(Cl)=C(N)C2=O ZINC000040412041 EC Annotated Mild CC(=O)OC[C@@H](OC(C)=O)c1c[nH]c2c1C(=O)C(Cl)=C(N)C2=O ZINC000040412044 EC Annotated Mild C=C[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13 ZINC000040420318 EC Annotated Mild C=C(C)[C@@H]1CC(=O)C[C@H](O)[C@@]2(O)[C@H]1C=C1C(=O)O[C@@H]3C[C@](C)(O)[C@H]2[C@H]13 ZINC000040421733 EC Annotated Mild CN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040424144 EC Annotated Mild CN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040424145 EC Annotated Mild C=C1CC[C@@H](OC)C(O)=C1C(=O)[C@@]1(C)NC(=O)CC[C@H](N)C(=O)O1 ZINC000040424524 EC Annotated Mild C=C1CC[C@@H](OC)C(O)=C1C(=O)[C@]1(C)NC(=O)CC[C@H](N)C(=O)O1 ZINC000040424526 EC Annotated Mild C[C@H]1[C@@H](C)N1C[C@H](O)CNC(=O)[C@H]1O[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000040455248 EC Annotated Anodyne C[C@H]1[C@@H](C)N1C[C@H](O)CNC(=O)[C@@H]1O[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000040455254 EC Annotated Anodyne O=C(O)c1nc2n(c1C(=O)N1CCOCC1)-c1ccccc1OC2 ZINC000040465165 EC Annotated Anodyne C/N=C(\NC#N)NCCOCn1nc(-c2ccccc2)ccc1=O ZINC000040466276 EC Annotated Mild C/N=C(\NC#N)NCCCOCn1nc(-c2ccccc2)ccc1=O ZINC000040466673 EC Annotated Mild COc1cc([N+](=O)[O-])c([N+](=O)[O-])c(/C=N/NC(=N)NO)c1OC ZINC000040475029 EC Annotated Mild CO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Cl ZINC000040492347 EC Annotated Clean CO[C@@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Cl ZINC000040496547 EC Annotated Clean COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC/C3=N\O)C1=O ZINC000040506265 EC Annotated Mild C[C@@H]1[C@H](O)C[C@@H]2[C@]1(O)[C@H](O)C[C@@]13C[C@@H](CC[C@@H]1[C@@]2(C)O)[C@](C)(O)C3 ZINC000040519599 EC Annotated Anodyne CO[C@@H]1OC[C@@H]2OC(C)(C)O[C@H]2[C@@]1(F)CCn1ccc(=O)[nH]c1=O ZINC000040519648 EC Annotated Anodyne COc1cccc2c(=O)n(CC(=O)C[C@H]3NCCC[C@@H]3O)cnc12 ZINC000040565080 EC Annotated Anodyne CCCCCCNC(=O)N/N=C/c1ccc2c(c1)=[N+]([O-])C(C)(C)[N+]=2[O-] ZINC000040565608 EC Annotated Reactive CC(=O)N1C(=O)[C@@H]2CCCN2c2nc3ncc(C(=O)O)c(O)c3cc21 ZINC000040567833 EC Annotated Anodyne COCCOc1nc(N)c2nc(NN)n(Cc3ccccc3)c2n1 ZINC000040575357 EC Annotated Anodyne C[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000040585004 EC Annotated Mild O=C1NC(=O)[C@@H]2[C@@H]3O[C@@H](C=C3[C@@](O)(c3ccccc3)c3ccccn3)[C@@H]12 ZINC000040585182 EC Annotated Anodyne CC(=O)NC[C@@H]1CN(c2ccc([S@](C)=O)c([N+](=O)[O-])c2)C(=O)O1 ZINC000040631461 EC Annotated Bother CC(=O)NC[C@H]1CN(c2ccc([S@](C)=O)c([N+](=O)[O-])c2)C(=O)O1 ZINC000040631462 EC Annotated Bother CC(=O)NC[C@@H]1CN(c2ccc([S@@](C)=O)c([N+](=O)[O-])c2)C(=O)O1 ZINC000040631464 EC Annotated Bother CC(=O)NC[C@H]1CN(c2ccc([S@@](C)=O)c([N+](=O)[O-])c2)C(=O)O1 ZINC000040631466 EC Annotated Bother Nc1cc(Oc2ccccc2)c(S(N)(=O)=O)cc1S(=O)(=O)O ZINC000040639620 EC Annotated Anodyne COCC(=O)[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000040639943 EC Annotated Mild COCC(=O)[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000040639946 EC Annotated Mild COCC(=O)[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N ZINC000040641433 EC Annotated Mild COCC(=O)[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N ZINC000040641436 EC Annotated Mild CC(=O)OC[C@@H]1OC=C[C@@H](n2ccnc2[N+](=O)[O-])[C@H]1OC(C)=O ZINC000040685251 EC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000040718690 EC Annotated Clean C[C@@H]1NC(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000040752785 EC Annotated Mild CCOC(=O)COCn1cc(/C=C/Br)c(=O)[nH]c1=O ZINC000040752913 EC Annotated Anodyne COC(=O)[C@H](CCO[C@H]1CCCC[C@H]1C)NC(=O)[C@@H](N)CC(=O)O ZINC000040812671 EC Annotated Anodyne COC(=O)[C@H](CCO[C@@H]1CCCC[C@H]1C)NC(=O)[C@@H](N)CC(=O)O ZINC000040812673 EC Annotated Anodyne NCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCN)C2=O ZINC000040833989 EC Annotated Bother Cc1cc(S(N)(=O)=O)c(SCCNC2=NCCN2)cc1Cl ZINC000040834886 EC Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCS(=O)CC2)s1 ZINC000040836676 EC Annotated Bother O=C1N=C(c2cccnc2)N(NS(=O)(=O)c2ccccc2)C1=O ZINC000040846589 EC Annotated Anodyne CC(=O)NCCSC(=O)CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000040863192 EC Annotated Anodyne COC(=O)CNC(=O)c1ccc(-n2ncc3c(N)ncnc32)cc1 ZINC000040864352 EC Annotated Anodyne COCCNc1nc(OCCCCN)cc(OCCN(C)C)n1 ZINC000040874801 EC Annotated Anodyne O=C(O)C1(N(CP(=O)(O)O)CP(=O)(O)O)CCCCC1 ZINC000040880242 EC Annotated Anodyne Cc1[nH]cnc1CSCC(=O)N/C(N)=N\CCCc1cnc[nH]1 ZINC000040891856 EC Annotated Mild in-vitro COC(=O)CSc1c(S(=O)(=O)c2ccccc2)no[n+]1[O-] ZINC000040893036 EC Annotated Anodyne N=C(N)N/N=C/c1ccc(OCc2ccc3no[n+]([O-])c3c2)cc1 ZINC000040894467 EC Annotated Mild CC1(C)O[C@H]2[C@@H]3NCc4c(cc5c(c4O)OCO5)C3=C[C@H](O)[C@H]2O1 ZINC000040897311 EC Annotated Clean COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CN1C(C)=O ZINC000040899455 EC Annotated Bother Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3[C@H](O)CC[C@H]3C2)cc1 ZINC000040916117 EC Annotated Anodyne in-man endogenous C[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cnc(C(N)=O)n2)[C@@H]1O ZINC000040918248 EC Annotated Anodyne COCCOCCOCCOC(=O)/C=C/c1cc(=O)c(O)co1 ZINC000040919222 EC Annotated Anodyne CN1CCN(c2ccc3c(c2)n2ncc([N+](=O)[O-])c2n[n+]3[O-])CC1 ZINC000040943612 EC Annotated Bother CCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040953803 EC Annotated Mild CCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040953805 EC Annotated Mild COC1=C2[C@H]3NCC[C@]2(C[C@H](O)[C@@H]1O)c1c(ccc(OC)c1O)[C@@H]3O ZINC000040953939 EC Annotated Anodyne NC(=O)NC(=O)c1cc(NC(=O)CBr)cc([N+](=O)[O-])c1 ZINC000040957880 EC Annotated Reactive Cc1c(N2CCNCC2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000040974303 EC Annotated Anodyne N[C@@H](C(=O)NCCCCCC(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040975986 EC Annotated Bother CCOCCOCCOCCOCCOCCNC1CCNCC1 ZINC000040977317 EC Annotated Anodyne Nn1c(CS(=O)(=O)C2=NNC[C@@H]2c2ccccc2)n[nH]c1=S ZINC000040977588 EC Annotated Anodyne CCc1n[n+]([O-])c2cc3c(cc2[n+]1[O-])C[C@H](CN1CCOCC1)C3 ZINC000040979107 EC Annotated Anodyne CCc1n[n+]([O-])c2cc3c(cc2[n+]1[O-])C[C@@H](CN1CCOCC1)C3 ZINC000040979109 EC Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)s2)o1 ZINC000040979292 EC Annotated Bother CCc1n[n+]([O-])c2cc3c(cc2[n+]1[O-])C[C@H](CCN1CCOCC1)C3 ZINC000040979882 EC Annotated Anodyne CCc1n[n+]([O-])c2cc3c(cc2[n+]1[O-])C[C@@H](CCN1CCOCC1)C3 ZINC000040979884 EC Annotated Anodyne C[C@H](N[C@H]1CCC[C@@H](C)[C@H]1C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000041863590 EC Annotated Anodyne C[C@H](N[C@H]1CCC[C@H](C)[C@H]1C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000041863591 EC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000042876415 EC Annotated Reactive C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@](C)(O)[C@H](OC(C)=O)C[C@H]12 ZINC000042876419 EC Annotated Reactive O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCNCC3)c21 ZINC000042922160 EC Annotated Anodyne CS(=O)(=O)NC[C@H](O)CO/N=C(\Cl)c1nc2ccccc2o1 ZINC000042922641 EC Annotated Mild CS(=O)(=O)NC[C@@H](O)CO/N=C(\Cl)c1nc2ccccc2o1 ZINC000042922644 EC Annotated Mild NCCCNCCCCNCCCNc1ccc(N)c2nonc12 ZINC000043022597 EC Annotated Anodyne Cc1ccc(S(=O)(=O)NCCSc2nc(N)cc(=O)[nH]2)cc1 ZINC000043066371 EC Annotated Anodyne CC(C)O[P@](=O)(O)COCCN1CNc2c1nc(N)[nH]c2=O ZINC000043072438 EC Annotated Anodyne Cc1n[nH]cc1/C=N/n1c(C)nn(CN2CCN(C)CC2)c1=S ZINC000043119613 EC Annotated Mild O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000043122815 EC Annotated Clean CC1CCN(c2cc(-n3[nH]cc(-n4ccnn4)c3=O)ncn2)CC1 ZINC000043195429 EC Annotated Anodyne CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC3(O)CCC3)nc21 ZINC000043202181 EC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3C=NN(C)CC3)c(F)c2)C(=O)O1 ZINC000043207177 EC Annotated Anodyne N#Cc1cn(-c2c[nH]n(-c3cc(N4CC(F)(F)C4)ncn3)c2=O)cn1 ZINC000043208115 EC Annotated Mild CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@H]1OCCC[C@H]12 ZINC000004665034 EC Annotated Anodyne CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@H]1OCCC[C@@H]12 ZINC000004665035 EC Annotated Anodyne CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@@H]1OCCC[C@H]12 ZINC000004665036 EC Annotated Anodyne CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@@H]1OCCC[C@@H]12 ZINC000004665037 EC Annotated Anodyne C[C@H]1C[C@@H](C)C[C@@H]([C@H](O)C[C@@H]2CCC(=O)NC2=O)C1=NNC(N)=O ZINC000004744138 EC Annotated Anodyne CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)C ZINC000004768940 EC Annotated Bother O=C(Nc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000004925351 EC Annotated Anodyne O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000004925356 EC Annotated Anodyne COc1ccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000004940971 EC Annotated Anodyne COc1ccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000004940972 EC Annotated Anodyne CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)cc1 ZINC000004955404 EC Annotated Anodyne CCOC(=O)[C@@H](C)Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004960322 EC Annotated Anodyne CCOC(=O)[C@H](C)Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004960324 EC Annotated Anodyne O=C(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)N1CCOCC1 ZINC000004967533 EC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2CCCC2)[C@@H]3C1=O ZINC000004991816 EC Annotated Anodyne O=C(O)C[C@H](NC(=O)c1conc1-c1ccc2c(c1)OCO2)C(=O)O ZINC000045202786 EC Annotated Anodyne COc1cc(OC)c2c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccnc2c1 ZINC000045284070 EC Annotated Anodyne N#Cc1ccccc1OCCn1nc(N2CCNCC2)ccc1=O ZINC000045288127 EC Annotated Mild CN(C)C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3O)CO[C@H]12 ZINC000045298687 EC Annotated Anodyne Nn1c(-c2ccncc2)nn(CNCCN2CCOCC2)c1=S ZINC000045299079 EC Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnn(-c3ccccc3)n1)C2 ZINC000045299346 EC Annotated Bother Cn1c(COc2cccc(C#N)c2)nc(N2CCNCC2)cc1=O ZINC000045302637 EC Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000045336901 EC Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000045336903 EC Annotated Mild C=CCN(C)c1nc(N)nc2c1ncn2[C@H]1C[C@H](N=[N+]=[N-])[C@@H](CO)O1 ZINC000045336915 EC Annotated Mild Nc1nc(N2CCOCC2)nc2c1[N+]([O-])=C(c1ccccc1)C2=O ZINC000045347838 EC Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CNCC(=O)N1[C@H]2CO ZINC000045354335 EC Annotated Anodyne CC(C)(O)C#Cc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000045364728 EC Annotated Mild CC(C)(O)C#Cc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000045364730 EC Annotated Mild C[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O ZINC000045388396 EC Annotated Anodyne COC(=O)CNc1nc(N)c2c(n1)C(=O)C(c1ccccc1)=[N+]2[O-] ZINC000045390731 EC Annotated Anodyne CCOC(=O)COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000045497847 EC Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)C[n+]2cccc(/C=N/O)c2)n1 ZINC000473082797 EC Annotated Mild O=C(O)COCC(=O)Cc1cc(SCCO)cc([N+](=O)[O-])c1 ZINC000473084929 EC Annotated Bother O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1C(=O)O ZINC000473086290 EC Annotated Clean O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])c(C(=O)O)c1 ZINC000473087557 EC Annotated Clean O=C1NC(=S)NC(=O)C1=CNc1cc(C(=O)O)ccc1Cl ZINC000473087919 EC Annotated Clean CC(=O)O[C@H]1C/C(C)=C/[C@@H](O)[C@H](O)[C@H]2[C@H](O)O[C@]13[C@@H]2CC3(C)C ZINC000473090718 EC Annotated Anodyne CC(C)CC(=O)N1CCC(C(=O)NC/C=C/S(C)(=O)=O)CC1 ZINC000473114017 EC Annotated Anodyne CC(=O)OC[C@@]1(O)CC[C@@H](C2=C/C(=C/[C@@H](C)C(N)=O)OC2=O)CC1 ZINC000473127363 EC Annotated Anodyne CC(=O)OC[C@@]1(O)CC[C@@H](C2=C/C(=C/[C@H](C)C(N)=O)OC2=O)CC1 ZINC000473127365 EC Annotated Anodyne CN(CC(=O)OCc1cccc(Cl)c1)NC(=O)C[C@@H](N)CCN ZINC000473128609 EC Annotated Reactive CN(CC(=O)OCc1ccc(Cl)cc1)NC(=O)C[C@@H](N)CCN ZINC000473130381 EC Annotated Reactive NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCOCC3)o2)cs1 ZINC000473130572 EC Annotated Anodyne NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCOCC3)o2)s1 ZINC000473132419 EC Annotated Anodyne CC(=O)O[C@@H]1C(=O)C=C(C)[C@]2(O)CC3=C(C)C(=O)O[C@@]3(O)C[C@@]12C ZINC000473133132 EC Annotated Mild [N-]=[N+]=N[C@]1(CO)O[C@@H](c2ccc3c(N)nc(F)nn23)[C@H](F)[C@@H]1O ZINC000473135211 EC Annotated Clean N=C(N)c1ccc(Nc2ncnc(NCC(N)=O)c2[N+](=O)[O-])cc1 ZINC000473151897 EC Annotated Bother CCCCC[C@@H]1OC2=C(C(=O)N[C@@]2(COC)OC)[C@H](O)[C@@]1(C)O ZINC000473153275 EC Annotated Anodyne CCCCC[C@@H]1OC2=C(C(=O)N[C@]2(COC)OC)[C@H](O)[C@@]1(C)O ZINC000473153276 EC Annotated Anodyne CN(CC(=O)c1c(CO)[nH]c2ccccc12)CC(=O)N1CCOCC1 ZINC000473154668 EC Annotated Anodyne FC(F)(F)CON=c1[nH]c2nonc2[nH]c1=NOCC(F)(F)F ZINC000473168114 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(C[C@@H](O)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198571 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(C[C@H](O)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198572 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(C[C@H](O)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198573 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(C[C@@H](O)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198574 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CC(=O)C(N)=O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198605 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CC(=O)C(N)=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198607 EC Annotated Anodyne CC(C)C[C@H]1C(=O)N(CC(=O)C(N)=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198608 EC Annotated Anodyne CC(C)C[C@H]1C(=O)N(CC(=O)C(N)=O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198610 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CCC(=O)C(N)=O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198623 EC Annotated Anodyne CC(C)C[C@H]1C(=O)N(CCC(=O)C(N)=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198627 EC Annotated Anodyne CC(C)C[C@H]1C(=O)N(CCC(=O)C(N)=O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198630 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CCC(=O)C(N)=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198631 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](CO)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198668 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](CO)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198675 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](CO)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198676 EC Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](CO)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198677 EC Annotated Anodyne O=S(=O)(C1CC1)N1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1 ZINC000473249907 EC Annotated Anodyne COCc1ccc2c(N3CCOCC3)nc(-c3cnc(=N)[nH]c3)nn12 ZINC000474608447 EC Annotated Anodyne O=[n+]1nc(NCCCN2CCOCC2)n(O)c2ccc3c(c21)CCC3 ZINC000048998447 EC Annotated Anodyne CC1=C[C@H](O)[C@@H](O)[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000049021114 EC Annotated Mild in-vitro biogenic Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCn1ccnc1[N+](=O)[O-] ZINC000049031218 EC Annotated Bother CC1=CC(=O)[C@@H](O)[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000049034274 EC Annotated Mild in-vitro biogenic O=C(N[C@@H](CO)C1=N[C@H](C(=O)O)CO1)c1coc(-c2ccccc2)n1 ZINC000049035168 EC Annotated Anodyne CCOCCN1CCN(CCCN/C(=N\C#N)c2ccncc2)CC1 ZINC000049049766 EC Annotated Mild NC(=O)CC[C@@H](C(=O)O)N1C(=O)c2cccc3cc(N)cc(c23)C1=O ZINC000049052897 EC Annotated Anodyne NC(=O)CC[C@H](C(=O)O)N1C(=O)c2cccc3cc(N)cc(c23)C1=O ZINC000049052901 EC Annotated Anodyne CC1CCN(CCCC(=O)NC2C=CC(S(N)(=O)=O)C=C2)CC1 ZINC000049053940 EC Annotated Anodyne CC1CCN(CCC(=O)NC2C=CC(S(N)(=O)=O)C=C2)CC1 ZINC000049054349 EC Annotated Anodyne CC(=O)N1CCN(c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)CC1 ZINC000049068320 EC Annotated Clean C#Cc1ccc(CNC(=O)[C@H](COCCN=C=S)NC(C)=O)cc1 ZINC000049072454 EC Annotated Reactive C#Cc1ccc(CNC(=O)[C@@H](COCCN=C=S)NC(C)=O)cc1 ZINC000049073100 EC Annotated Reactive COC(=O)[C@@]1(O)c2c(oc3cc(C)cc(O)c3c2=O)O[C@@H]1CCO ZINC000049087991 EC Annotated Anodyne COC(=O)[C@@H]1c2c(oc3cc(CO)cc(O)c3c2=O)OC=C[C@@H]1O ZINC000049088031 EC Annotated Anodyne Cc1ccc2c(c1)/C(=N/n1cnnc1)C(=O)N2CN1CCNCC1 ZINC000049088420 EC Annotated Mild COC(=O)[C@]1(O)C(=O)C(C)=COc2oc3cccc(O)c3c(=O)c21 ZINC000049089614 EC Annotated Mild COC(=O)[C@@]1(O)C(=O)C(C)=COc2oc3cccc(O)c3c(=O)c21 ZINC000049089615 EC Annotated Mild Cc1ccc2c(c1)/C(=N/n1cnnc1)C(=O)N2CN1CCOCC1 ZINC000049089902 EC Annotated Mild O=[n+]1nc(NCCN2CCCCC2)n(O)c2ccc3c(c21)CCC3 ZINC000049110712 EC Annotated Anodyne CN1C(=O)C(=CNc2cc(C(=O)O)ccc2C(=O)O)C(=O)N(C)C1=O ZINC000049111887 EC Annotated Clean O=c1[nH]c(C[C@@H](O)COCc2ccccc2)c(CCCl)c(=O)[nH]1 ZINC000049112309 EC Annotated Reactive O=c1[nH]c(C[C@H](O)COCc2ccccc2)c(CCCl)c(=O)[nH]1 ZINC000049112310 EC Annotated Reactive COC(=O)[C@@]1(O)c2c(oc3cc(C)cc(O)c3c2=O)OC=C[C@@H]1O ZINC000049113031 EC Annotated Anodyne O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C[C@@]34C[C@@H](N2)SC4=C[C@H]1O ZINC000049124978 EC Annotated Mild O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(O)cc1 ZINC000049772274 EC Annotated Anodyne O=C1[C@@H]2CS[C@]3(C(=O)Nc4ccccc43)N2C(=O)[C@@H]2CCCN12 ZINC000049802994 EC Annotated Anodyne CN1C(=O)[C@@]2(SC[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c2ccccc21 ZINC000049803356 EC Annotated Anodyne O=C1[C@@H]2CS[C@@]3(C(=O)Nc4ccccc43)N2C(=O)[C@@H]2CCCN12 ZINC000049807706 EC Annotated Anodyne CN1C(=O)[C@]2(SC[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c2ccccc21 ZINC000049808401 EC Annotated Anodyne CC(=O)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000000617973 EC Annotated Anodyne CCOC(=O)CNC(=O)Cn1ncc2c(=O)oc3ccccc3c21 ZINC000005004015 EC Annotated Anodyne CN1C(=O)NC(=O)/C(=C/c2ccc(I)o2)C1=O ZINC000005061663 EC Annotated Clean O=C(NC(=O)C1CCNCC1)c1cc2c(s1)CS(=O)(=O)C2 ZINC000005083848 EC Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(O[C@@H]4[C@@H]4O[C@@]43C)[C@](C)(O)C[C@H](OC(C)=O)[C@@H]12 ZINC000005166674 EC Annotated Anodyne biogenic C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(O)CO)[C@@H]23 ZINC000005215287 EC Annotated Mild Cn1c(N)c(C(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c(=O)n(C)c1=O ZINC000005417526 EC Annotated Anodyne Cn1c(N)c(C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c(=O)n(C)c1=O ZINC000005417529 EC Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(COC(C)=O)[C@@H]4O[C@@H](O[C@H]4O)C(=C)[C@@H]3C[C@H]12 ZINC000005431959 EC Annotated Mild CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@H]12)C(C)C ZINC000005442717 EC Annotated Bother C=C1C[C@H](O)[C@H]2[C@H](C[S@](=O)OC)C(=O)O[C@@H]2[C@H]2[C@H](C)C(=O)C[C@@H]12 ZINC000523041457 EC Annotated Mild C=C1C[C@H](O)[C@H]2[C@H](C[S@@](=O)OC)C(=O)O[C@@H]2[C@H]2[C@H](C)C(=O)C[C@@H]12 ZINC000523041459 EC Annotated Mild CC(=O)O[C@H]1C[C@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H]2C=C1C(=O)O2 ZINC000523041579 EC Annotated Anodyne biogenic C[C@H]1CO[C@H]2C(CNC3CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996716 EC Annotated Mild C[C@H]1CO[C@@H]2C(CNC3CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996717 EC Annotated Mild C[C@H]1CO[C@H]2C(CNC3CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000052996718 EC Annotated Mild C[C@H]1CO[C@@H]2C(CNC3CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000052996719 EC Annotated Mild CO[C@@]12CC[C@@](C)(/C=C3/OC(=O)C(CO)=C3[C@@H](O)C[C@@]1(C)O)O2 ZINC000525915100 EC Annotated Anodyne C[C@@H]1CO[C@H]2C(CNC3CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053006590 EC Annotated Mild C[C@@H]1CO[C@@H]2C(CNC3CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053006591 EC Annotated Mild CC(=O)O[C@@H]1[C@@H](O)C=C2CCN3C(=O)c4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000053230909 EC Annotated Anodyne CN1C(=N)N=C(Nc2nc(Cc3ccc4c(c3)OCO4)cn2C)C1=O ZINC000053298000 EC Annotated Anodyne CN1C(=O)c2ccc(OC(=O)CCc3cnc(N)nc3)cc2C1=O ZINC000053312528 EC Annotated Anodyne CCCCCCCC/N=C1\SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)N12 ZINC000053683014 EC Annotated Mild in-vivo C[C@@H](O)[C@@H](N)C1=N/C(=C/c2c[nH]c3ccccc23)C(=O)N1CCO ZINC000053683193 EC Annotated Anodyne in-vivo CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4)CC1 ZINC000535385348 EC Annotated Anodyne COCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N ZINC000005501268 EC Annotated Mild COCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N ZINC000005501281 EC Annotated Mild C=CCn1c(=O)c(C)cn(/C(=C/C(=O)OCC)C(=O)OCC)c1=O ZINC000005541449 EC Annotated Mild CC1(C)O[C@@H]2O[C@H](COC(=O)C=[N+]=[N-])[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000005541774 EC Annotated Clean Nc1n[nH]c2c(C(=O)Nc3ccc(Cl)cc3)c(N)n(N)c(=O)c12 ZINC000005543622 EC Annotated Anodyne CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)C[S@@](=O)C2 ZINC000005663262 EC Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N[C@@H]1c2ccsc2/C(=N/O)[C@H]1O ZINC000005714117 EC Annotated Mild CC(C)(C)OC(=O)NCC(=O)N[C@H]1c2ccsc2/C(=N/O)[C@H]1O ZINC000005714134 EC Annotated Mild CO[C@@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Cl ZINC000005723223 EC Annotated Clean CO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Cl ZINC000005723226 EC Annotated Clean CO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000005723227 EC Annotated Clean CC1(C)OC[C@H]2O[C@@]3(c4nc(C#N)c(N)o4)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000005741859 EC Annotated Mild CC1(C)OC[C@@H]2O[C@@]3(c4nc(C#N)c(N)o4)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000005741925 EC Annotated Mild COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](OC(C)=O)[C@@H](O)[C@@H](C)O1 ZINC000005763978 EC Annotated Mild COC(=O)CC[C@H](NC(=S)N/N=C(\C)c1ccco1)C(=O)OC ZINC000005811883 EC Annotated Mild COC(=O)CC[C@@H](NC(=S)N/N=C(\C)c1ccco1)C(=O)OC ZINC000005811886 EC Annotated Mild CC[C@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@H](O)[C@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000005823974 EC Annotated Clean CC[C@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@H](O)[C@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000005823976 EC Annotated Clean CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)[C@H]2CC(C)=C(C)C[C@H]2[C@H]1O ZINC000005836962 EC Annotated Clean CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)[C@H]2CC(C)=C(C)C[C@H]2[C@@H]1O ZINC000005836972 EC Annotated Clean CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)[C@H]2CC(C)=C(C)C[C@@H]2[C@H]1O ZINC000005836978 EC Annotated Clean CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)[C@H]2CC(C)=C(C)C[C@@H]2[C@@H]1O ZINC000005836984 EC Annotated Clean O=C1CC(=O)NC(NN2C(=O)CS[C@H]2c2ccc(Cl)cc2)=N1 ZINC000005838629 EC Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC2=NC(=O)CC(=O)N2)cc1 ZINC000005838642 EC Annotated Anodyne O=C1CC[C@H](N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)N1 ZINC000005839581 EC Annotated Anodyne CC1(C)O[C@@H]2[C@H](CO)O[C@H](N/C(=N/C#N)Oc3ccccc3)[C@@H]2O1 ZINC000005846187 EC Annotated Mild COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005848926 EC Annotated Bother O=P(O)(O)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000005851720 EC Annotated Anodyne C/C(=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc[n+]1[O-] ZINC000005892506 EC Annotated Mild C=C1C[C@](Cn2ccc(=O)[nH]c2=O)(c2ccc(OC)cc2)OC1=O ZINC000005957117 EC Annotated Mild CC(C)C(=O)OC[C@@H](CO)OCn1cnc2c(F)nc(N)nc21 ZINC000005962473 EC Annotated Anodyne CC(C)C(=O)OC[C@H](CO)OCn1cnc2c(F)nc(N)nc21 ZINC000005962474 EC Annotated Anodyne CCCC(=O)OC[C@@H](CO)OCn1cnc2c(F)nc(N)nc21 ZINC000005972821 EC Annotated Anodyne CCCC(=O)OC[C@H](CO)OCn1cnc2c(F)nc(N)nc21 ZINC000005972826 EC Annotated Anodyne Nc1n[nH]c(=O)c2c1c(Br)cn2[C@H]1CC[C@@H](CO)O1 ZINC000005973814 EC Annotated Anodyne CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1)C1CCOCC1 ZINC000055108592 EC Annotated Anodyne CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1)C1CCOCC1 ZINC000055108593 EC Annotated Anodyne CC(=O)OC[C@@H](CO[P@](=O)(O)CC[N+](C)(C)C)OC(C)=O ZINC000056871179 EC Annotated Bother in-vitro O=C(O)C1=C/C(=C/C=[N+]2\CCc3cc(O)c(O)cc32)C[C@@H](C(=O)O)N1 ZINC000056874781 EC Annotated Clean in-vitro CCCOC(=O)CS[C@@H]1[C@H](C)C([C@H](C=O)[C@@H](C)O)=N[C@@H]1C(=O)O ZINC000584905005 EC Annotated Mild CC1=C(C(=O)O)N[C@H]([C@@H](C=O)NC(=O)[C@H](N)c2ccccc2)SC1 ZINC000584905337 EC Annotated Mild CN(C)C[C@H](CO)Cn1c(N)nc2ccc3c(c21)C[C@@H](CO)CO3 ZINC000058574756 EC Annotated Anodyne O=C(O)c1cccc(/C=N/OCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1 ZINC000058592582 EC Annotated Mild C[C@@H](O)[C@H](N)C1=N/C(=C\c2c[nH]c3ccccc23)C(=O)N1CC(=O)O ZINC000058649799 EC Annotated Anodyne COCO[C@H]1C[C@H]2O[C@H]3CC=CCO[C@@H]3[C@@H](O)[C@@H]2O[C@@H]1CC(=O)O ZINC000058650504 EC Annotated Anodyne in-vitro C[C@H]1CCC[C@H](N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1C ZINC000058786795 EC Annotated Anodyne O=C1c2ccccc2C(=O)c2c1[nH][n+](=O)n2CCCN1CCOCC1 ZINC000585660860 EC Annotated Clean O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586885224 EC Annotated Bother O=C(O)[C@H](O)[C@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586885255 EC Annotated Bother O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586885256 EC Annotated Bother O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586885258 EC Annotated Bother O=C(O)[C@H](O)[C@@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586885393 EC Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586885396 EC Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586885397 EC Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586885398 EC Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586885940 EC Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586885941 EC Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586885942 EC Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586885943 EC Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](O)[C@H](O)C(=O)O)nc2c1 ZINC000586886207 EC Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H](O)[C@@H](O)C(=O)O)nc2c1 ZINC000586886213 EC Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H](O)[C@H](O)C(=O)O)nc2c1 ZINC000586886215 EC Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H](O)[C@@H](O)C(=O)O)nc2c1 ZINC000586886216 EC Annotated Mild O=C(O)[C@@H](O)[C@@H](O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586886635 EC Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586886644 EC Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586886646 EC Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586886647 EC Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586886758 EC Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586886768 EC Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586886770 EC Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586886771 EC Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@@H](O)[C@H](O)CO)[nH]c12 ZINC000586887147 EC Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@@H](O)[C@@H](O)CO)[nH]c12 ZINC000586887148 EC Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)[C@@H](O)CO)[nH]c12 ZINC000586887149 EC Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)[C@H](O)CO)[nH]c12 ZINC000586887150 EC Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)[C@H](O)CO)[nH]c12 ZINC000586889536 EC Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)[C@@H](O)CO)[nH]c12 ZINC000586889537 EC Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@@H](O)[C@H](O)CO)[nH]c12 ZINC000586889539 EC Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@@H](O)[C@@H](O)CO)[nH]c12 ZINC000586889541 EC Annotated Bother O=C(O)c1cc(Br)cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c12 ZINC000586890169 EC Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c12 ZINC000586890187 EC Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c12 ZINC000586890188 EC Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c12 ZINC000586890189 EC Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586890735 EC Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586890737 EC Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586890739 EC Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586890740 EC Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586890935 EC Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586890942 EC Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586890944 EC Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586890950 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@@H](O)CC(=O)O)[nH]c12 ZINC000586891078 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H](O)CC(=O)O)[nH]c12 ZINC000586891092 EC Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](O)[C@H](O)C(=O)O)[nH]c3c2)cc1N ZINC000586891238 EC Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](O)[C@H](O)C(=O)O)[nH]c3c2)cc1N ZINC000586891243 EC Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c3c2)cc1N ZINC000586891245 EC Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](O)[C@@H](O)C(=O)O)[nH]c3c2)cc1N ZINC000586891246 EC Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586891265 EC Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586891272 EC Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586891273 EC Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586891274 EC Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](O)[C@H](O)CO)[nH]c12 ZINC000586891420 EC Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](O)[C@@H](O)CO)[nH]c12 ZINC000586891433 EC Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](O)[C@@H](O)CO)[nH]c12 ZINC000586891434 EC Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](O)[C@H](O)CO)[nH]c12 ZINC000586891437 EC Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586891483 EC Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586891493 EC Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586891495 EC Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586891497 EC Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586891821 EC Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586891828 EC Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586891829 EC Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586891830 EC Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(I)cnc2[nH]1 ZINC000586892033 EC Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(I)cnc2[nH]1 ZINC000586892034 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@@H](O)CC(=O)O)[nH]c2c1 ZINC000586892695 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H](O)CC(=O)O)[nH]c2c1 ZINC000586892697 EC Annotated Anodyne CC1=C(c2ccc3nc(C[C@H](O)CC(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000586892774 EC Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H](O)CC(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000586892796 EC Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](O)[C@H](O)CO)[nH]c21 ZINC000586892801 EC Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](O)[C@@H](O)CO)[nH]c21 ZINC000586892814 EC Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)[C@H](O)CO)[nH]c21 ZINC000586892815 EC Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)[C@@H](O)CO)[nH]c21 ZINC000586892816 EC Annotated Clean O=C(O)[C@H](O)[C@H](O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586893041 EC Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586893042 EC Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586893044 EC Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586893045 EC Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](O)[C@H](O)CO)[nH]c2c1)C(F)(F)F ZINC000586893134 EC Annotated Anodyne O=S(=O)(c1ccc2nc([C@H](O)[C@@H](O)CO)[nH]c2c1)C(F)(F)F ZINC000586893147 EC Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](O)[C@@H](O)CO)[nH]c2c1)C(F)(F)F ZINC000586893149 EC Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586893150 EC Annotated Bother O=S(=O)(c1ccc2nc([C@H](O)[C@H](O)CO)[nH]c2c1)C(F)(F)F ZINC000586893151 EC Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586893152 EC Annotated Bother O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586893154 EC Annotated Bother O=C(O)[C@@H](O)[C@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586893156 EC Annotated Bother OC[C@@H](O)[C@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586893616 EC Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586893617 EC Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586893618 EC Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586893619 EC Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](O)CO)nc2c1 ZINC000586894313 EC Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@H](O)CO)nc2c1 ZINC000586894315 EC Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@@H](O)CO)nc2c1 ZINC000586894317 EC Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](O)CO)nc2c1 ZINC000586894318 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](O)C(C)(C)CO)[nH]c2c1 ZINC000586900221 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](O)C(C)(C)CO)[nH]c12 ZINC000586900952 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 ZINC000586909573 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 ZINC000586909587 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H]3COCCO3)[nH]c12 ZINC000586911482 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@@H]3COCCO3)[nH]c12 ZINC000586911483 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C3(O)CCOCC3)[nH]c2c1 ZINC000586912613 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3(O)CCOCC3)[nH]c12 ZINC000586913188 EC Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586919583 EC Annotated Bother Nc1ncnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000586920280 EC Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cnnc(O)c3[nH]2)cc1 ZINC000586920285 EC Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586920468 EC Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(O)ncnc3[nH]2)cc1 ZINC000586920473 EC Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586920532 EC Annotated Anodyne N=c1[nH]cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc-2[nH]1 ZINC000586920573 EC Annotated Bother N[C@@H](CP(=O)(O)O)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586920834 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586921139 EC Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)CP(=O)(O)O)[nH]c2c1OC ZINC000586921346 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000586921395 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000586921664 EC Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](N)CP(=O)(O)O)nc2cc1OC ZINC000586922223 EC Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000586922769 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Cl)ncnc2[nH]1 ZINC000586922784 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586923173 EC Annotated Bother COC(=O)c1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cn1 ZINC000586923256 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000586923270 EC Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)CP(=O)(O)O)[nH]c2c1 ZINC000586923407 EC Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2n1 ZINC000586923542 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586923733 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586923763 EC Annotated Reactive Cn1nccc1CS(=O)(=O)Cc1nc2ccc(CCO)cc2[nH]1 ZINC000586923765 EC Annotated Anodyne COC(=O)c1ccnc2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc12 ZINC000586923800 EC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586923871 EC Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(/C=C\S(C)(=O)=O)[nH]c2c1 ZINC000586924525 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/S(C)(=O)=O)[nH]c2c1 ZINC000586924527 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/S(C)(=O)=O)[nH]c12 ZINC000586925930 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\S(C)(=O)=O)[nH]c12 ZINC000586925932 EC Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586926381 EC Annotated Anodyne CN(Cc1nc2cc(N)c(N)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928448 EC Annotated Anodyne CN(Cc1nc2ncc[nH]c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928476 EC Annotated Mild CN(Cc1nc2c(O)ncnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928560 EC Annotated Mild CN(Cc1nc2c(N)ncnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928601 EC Annotated Mild CN(Cc1nc2ccc(C(N)=O)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928693 EC Annotated Anodyne CN(Cc1nc2c[nH]c(=N)[nH]c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928798 EC Annotated Mild CN(Cc1nc2cnnc(O)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928809 EC Annotated Mild CN(Cc1nc2cccc(C(N)=O)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929226 EC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(N)ncc2[nH]1 ZINC000586929788 EC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(O)ncnc2[nH]1 ZINC000586929789 EC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586929794 EC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccnc(N)c2[nH]1 ZINC000586929885 EC Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586930341 EC Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2nc(Br)c[nH]c-2n1 ZINC000586930365 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)o1 ZINC000586930444 EC Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cnnc(O)c2[nH]1 ZINC000586930491 EC Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586930493 EC Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2n1 ZINC000586930628 EC Annotated Anodyne N#Cc1nc2nc(-c3ccc(CS(N)(=O)=O)cc3)nc-2[nH]c1C#N ZINC000586930885 EC Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(N)ncnc2[nH]1 ZINC000586930887 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)o1 ZINC000586931111 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)o1 ZINC000586931274 EC Annotated Anodyne COC(=O)c1ccc2nc(CCS(=O)(=O)N(C)C)[nH]c2c1OC ZINC000586931437 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)o1 ZINC000586931566 EC Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586931625 EC Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3cnnc(O)c3[nH]2)cc1 ZINC000586931677 EC Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c1 ZINC000586931718 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(N)ncnc3[nH]2)cc1 ZINC000586931781 EC Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586931886 EC Annotated Anodyne COC(=O)c1cc2[nH]c(CCS(=O)(=O)N(C)C)nc2cc1OC ZINC000586931922 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(O)ncnc3[nH]2)cc1 ZINC000586932285 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586932297 EC Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586932632 EC Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(O)nc(N)nc2[nH]1)C(C)C ZINC000586933676 EC Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(O)nc(N)nc2[nH]1)C(C)C ZINC000586933677 EC Annotated Anodyne Cc1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2n1 ZINC000586934897 EC Annotated Anodyne Cc1cncc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586935973 EC Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000586936071 EC Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586936172 EC Annotated Anodyne Cc1ccnc2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc12 ZINC000586936287 EC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000586936717 EC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586936855 EC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586936861 EC Annotated Anodyne COc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cn1 ZINC000586936895 EC Annotated Anodyne COc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cn1 ZINC000586936899 EC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(O)c3[nH]2)c1 ZINC000586937173 EC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000586937207 EC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccnc3[nH]2)c1 ZINC000586937296 EC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586937398 EC Annotated Anodyne Cc1cnc2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c1 ZINC000586937401 EC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586937408 EC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000586937917 EC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000586937918 EC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586937970 EC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586937973 EC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586938452 EC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586938455 EC Annotated Anodyne COc1nccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586938899 EC Annotated Anodyne COc1nccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586938900 EC Annotated Anodyne COc1cncc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586939417 EC Annotated Anodyne COc1cncc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586939418 EC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586939472 EC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586939605 EC Annotated Anodyne COc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2n1 ZINC000586939722 EC Annotated Anodyne COc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2n1 ZINC000586939723 EC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586939934 EC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586939935 EC Annotated Anodyne CNS(=O)(=O)NCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586941513 EC Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000586941573 EC Annotated Anodyne CNS(=O)(=O)NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586941593 EC Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000586941801 EC Annotated Anodyne O=S(=O)(NCCc1nc2cncnc2[nH]1)c1ccc(Cl)nc1 ZINC000586941937 EC Annotated Anodyne O=S(=O)(NCc1nc2cnncc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941990 EC Annotated Anodyne CNS(=O)(=O)NCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000586942030 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000586942118 EC Annotated Anodyne O=S(=O)(NCCc1nc2ncc[nH]c-2n1)c1ccc(Cl)nc1 ZINC000586942131 EC Annotated Anodyne O=S(=O)(NCc1nc2cncnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942469 EC Annotated Anodyne O=S(=O)(NCc1nc2ncc[nH]c-2n1)c1ccc2c(c1)OCCO2 ZINC000586942520 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586942540 EC Annotated Reactive CNS(=O)(=O)NCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586942903 EC Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586942959 EC Annotated Anodyne O=S(=O)(NCCc1nc2cnncc2[nH]1)c1ccc(Cl)nc1 ZINC000586943095 EC Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586943250 EC Annotated Mild CCOC(=O)Cc1ccc2nc(CNS(=O)(=O)NC)[nH]c2c1 ZINC000586943283 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000586943548 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000586943586 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586943622 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000586943723 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586944088 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586944091 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000586944367 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586944701 EC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586944704 EC Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586945205 EC Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(O)ncnc3[nH]2)cc1 ZINC000586945707 EC Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(N)ncnc3[nH]2)cc1 ZINC000586945758 EC Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586946047 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(N)nc(Cl)c3[nH]2)n(C)c1 ZINC000586946673 EC Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cnnc(O)c3[nH]2)cc1 ZINC000586946795 EC Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586946831 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cnc(C(=O)OC)cc3[nH]2)n(C)c1 ZINC000586946957 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nccc(C(=O)OC)c3[nH]2)n(C)c1 ZINC000586947255 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(Cl)ncc3[nH]2)n(C)c1 ZINC000586947300 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)n(C)c1 ZINC000586947307 EC Annotated Bother CNS(=O)(=O)c1cc(-c2nc3nc(C(=O)OC)ccc3[nH]2)n(C)c1 ZINC000586947370 EC Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586947420 EC Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586947471 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(Cl)c[nH]c-3n2)n(C)c1 ZINC000586947585 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncnc(Cl)c3[nH]2)n(C)c1 ZINC000586947588 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(O)nc(S)nc3[nH]2)n(C)c1 ZINC000586947677 EC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)n(C)c1 ZINC000586947683 EC Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000586948368 EC Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586949051 EC Annotated Clean Cc1nc(NS(C)(=O)=O)sc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586951506 EC Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586951516 EC Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(N)ncnc2[nH]1 ZINC000586951534 EC Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(O)ncnc2[nH]1 ZINC000586951654 EC Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586951742 EC Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cnnc(O)c2[nH]1 ZINC000586951747 EC Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(O)nc(N)nc3[nH]2)CC1 ZINC000586951941 EC Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(O)nc(N)nc3[nH]2)CC1 ZINC000586953017 EC Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cnnc(O)c3[nH]2)CC1 ZINC000586953203 EC Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(O)nc(O)nc3[nH]2)CC1 ZINC000586953273 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cnc(Cl)[nH]c-3n2)CC1 ZINC000586954160 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(CCO)cc3[nH]2)CC1 ZINC000586954223 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(Cl)ncnc3[nH]2)CC1 ZINC000586954257 EC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cnncc4[nH]3)c2N)C1 ZINC000586954687 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccnc(OC)c3[nH]2)CC1 ZINC000586954886 EC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cncnc4[nH]3)c2N)C1 ZINC000586954895 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 ZINC000586954947 EC Annotated Bother CNS(=O)(=O)N1CCC(c2nc3ccc(OC)nc3[nH]2)CC1 ZINC000586954982 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000586955059 EC Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(O)ncnc3[nH]2)CC1 ZINC000586955114 EC Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(O)nc(O)nc3[nH]2)CC1 ZINC000586955244 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3nc(Cl)c[nH]c-3n2)CC1 ZINC000586955326 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 ZINC000586955327 EC Annotated Mild CS(=O)(=O)N1CCc2c(ccc(-c3nc4ncc[nH]c-4n3)c2N)C1 ZINC000586955388 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cncc(OC)c3[nH]2)CC1 ZINC000586955399 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OC)ncc3[nH]2)CC1 ZINC000586955405 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC1 ZINC000586955482 EC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586955873 EC Annotated Bother C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(N)ncc2[nH]1 ZINC000586957911 EC Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(N)ncc2[nH]1 ZINC000586957916 EC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(N)c2[nH]1 ZINC000586957966 EC Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(N)c2[nH]1 ZINC000586957967 EC Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586957976 EC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586957978 EC Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586958647 EC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586958652 EC Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586958804 EC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586958806 EC Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586959520 EC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586959521 EC Annotated Anodyne N#Cc1nc2nc(CSc3nc(O)cc(O)n3)[nH]c2nc1C#N ZINC000586966244 EC Annotated Mild NNC(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966789 EC Annotated Reactive N=c1[nH]c2nc(CSc3nc(O)cc(O)n3)nc-2c(Cl)[nH]1 ZINC000586966817 EC Annotated Anodyne O=C(CBr)NCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000586970430 EC Annotated Reactive O=C(CBr)NCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586970628 EC Annotated Reactive N=c1[nH]c2nc(CCNC(=O)CBr)nc-2c(Cl)[nH]1 ZINC000586970797 EC Annotated Reactive N#Cc1nc2nc(CCNC(=O)CBr)[nH]c2nc1C#N ZINC000586971033 EC Annotated Reactive COC(=O)c1ccnc2[nH]c(CCNC(=O)CBr)nc12 ZINC000586971758 EC Annotated Reactive O=C(CBr)NCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000586971765 EC Annotated Reactive Nc1nc(O)c2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 ZINC000587008696 EC Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587009395 EC Annotated Reactive CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cnc(N)[nH]c-3n2)s1 ZINC000587024051 EC Annotated Anodyne NS(=O)(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 ZINC000587027483 EC Annotated Anodyne O=C(NCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1cscn1 ZINC000587027523 EC Annotated Anodyne NS(=O)(=O)c1cccc2nc(CNC(=O)c3cscn3)[nH]c12 ZINC000587028253 EC Annotated Anodyne Nc1nc(O)c2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2n1 ZINC000587035732 EC Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(=O)NN)cc3[nH]2)C1=O ZINC000587038483 EC Annotated Reactive C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(=O)NN)cc3[nH]2)C1=O ZINC000587038484 EC Annotated Reactive C=CCN1C(=O)S[C@H](Cc2nc3nc(C#N)c(C#N)nc3[nH]2)C1=O ZINC000587038710 EC Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3nc(C#N)c(C#N)nc3[nH]2)C1=O ZINC000587038713 EC Annotated Mild CN(C)S(=O)(=O)c1cccc2nc([C@H]3CSCC(=O)N3)[nH]c12 ZINC000587042198 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CSCC(=O)N3)[nH]c12 ZINC000587042200 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CSCC(=O)N3)[nH]c2c1 ZINC000587043942 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CSCC(=O)N3)[nH]c2c1 ZINC000587043943 EC Annotated Anodyne Nc1nc(O)c2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2n1 ZINC000587093278 EC Annotated Bother Cn1nnc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1C(F)F ZINC000587128765 EC Annotated Anodyne N#Cc1nc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2nc1C#N ZINC000587140111 EC Annotated Mild NS(=O)(=O)c1ccc(F)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587140385 EC Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000587140706 EC Annotated Anodyne N=c1[nH]c2nc(-c3cc(S(N)(=O)=O)ccc3F)nc-2c(Cl)[nH]1 ZINC000587142320 EC Annotated Anodyne CN(Cc1nc2c[nH]c(=N)[nH]c-2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169376 EC Annotated Anodyne CN(Cc1nc2c(N)ncnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169704 EC Annotated Anodyne N=c1[nH]cc2nc(-c3nccnc3I)nc-2[nH]1 ZINC000587186382 EC Annotated Anodyne Nc1ncnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186803 EC Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587202013 EC Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587202014 EC Annotated Bother CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587202333 EC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587202334 EC Annotated Anodyne COC(=O)c1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cn1 ZINC000587202337 EC Annotated Anodyne COC(=O)c1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cn1 ZINC000587202338 EC Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587202343 EC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587202351 EC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587202383 EC Annotated Bother CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587202385 EC Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587203549 EC Annotated Mild CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587203550 EC Annotated Mild COC(=O)c1ccnc2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc12 ZINC000587203833 EC Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc12 ZINC000587203835 EC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587203869 EC Annotated Reactive CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587203870 EC Annotated Reactive COC(=O)c1ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2n1 ZINC000587204946 EC Annotated Anodyne COC(=O)c1ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2n1 ZINC000587204947 EC Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)c1c[nH]c(-c2cc3c4c(cccc4n2)CC3)n1 ZINC000587211966 EC Annotated Anodyne Cc1nccc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587217947 EC Annotated Anodyne Cc1nccc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587217952 EC Annotated Anodyne Cc1nccc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587217954 EC Annotated Anodyne Cc1nccc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587217956 EC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccccc2[nH]1 ZINC000587218606 EC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccccc2[nH]1 ZINC000587218613 EC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccccc2[nH]1 ZINC000587218615 EC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccccc2[nH]1 ZINC000587218616 EC Annotated Anodyne Cc1ccnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587219350 EC Annotated Anodyne Cc1ccnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587219352 EC Annotated Anodyne Cc1ccnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587219353 EC Annotated Anodyne Cc1ccnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587219355 EC Annotated Anodyne Cc1cnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587219386 EC Annotated Anodyne Cc1cnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587219387 EC Annotated Anodyne Cc1cnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587219388 EC Annotated Anodyne Cc1cnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587219389 EC Annotated Anodyne Cc1cncc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587219828 EC Annotated Anodyne Cc1cncc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587219830 EC Annotated Anodyne Cc1cncc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587219832 EC Annotated Anodyne Cc1cncc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587219834 EC Annotated Anodyne Cc1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587220111 EC Annotated Anodyne Cc1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587220112 EC Annotated Anodyne Cc1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587220113 EC Annotated Anodyne Cc1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587220114 EC Annotated Anodyne Cc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587221826 EC Annotated Anodyne Cc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587221827 EC Annotated Anodyne Cc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587221828 EC Annotated Anodyne Cc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587221829 EC Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587225241 EC Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587225242 EC Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587225789 EC Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587225790 EC Annotated Anodyne N#Cc1nc2nc(CCNC(=O)Cc3ccccc3)[nH]c2nc1C#N ZINC000587227928 EC Annotated Mild O=C(O)CNCCNCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587228333 EC Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)ncc2[nH]1 ZINC000587228434 EC Annotated Anodyne O=C(O)CNCCNCc1nc2cncc(Br)c2[nH]1 ZINC000587228747 EC Annotated Anodyne O=C(O)CNCCNCc1nc2c(Br)ccnc2[nH]1 ZINC000587228930 EC Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)cnc2[nH]1 ZINC000587229006 EC Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587229071 EC Annotated Anodyne Cc1nc2[nH]c(CNCCNCC(=O)O)nc2cc1Br ZINC000587229089 EC Annotated Anodyne O=C(O)CNCCNCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587229090 EC Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(Br)nc2[nH]1 ZINC000587229098 EC Annotated Anodyne COC(=O)c1ccc2nc(CNCCNCC(=O)O)[nH]c2c1OC ZINC000587229108 EC Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587229158 EC Annotated Anodyne CCOC(=O)Cc1ccc2nc(CNCCNCC(=O)O)[nH]c2c1 ZINC000587229169 EC Annotated Anodyne COC(=O)c1cc2[nH]c(CNCCNCC(=O)O)nc2cc1OC ZINC000587229286 EC Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CNCCNCC(=O)O)nc2c1 ZINC000587229344 EC Annotated Anodyne O=C(O)CNCCNCc1nc2ccnc(Br)c2[nH]1 ZINC000587229349 EC Annotated Anodyne Cc1c(Br)cnc2[nH]c(CNCCNCC(=O)O)nc12 ZINC000587229618 EC Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587230212 EC Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587230213 EC Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587230214 EC Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587230215 EC Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587231597 EC Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587231598 EC Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587231600 EC Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587231601 EC Annotated Anodyne NCCOCCOCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587245935 EC Annotated Anodyne COC(=O)c1cc2[nH]c(CCOCCOCCN)nc2cc1OC ZINC000587246072 EC Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587246106 EC Annotated Anodyne NCCOCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587246212 EC Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(O)nc(N)nc3[nH]1)C2 ZINC000587246284 EC Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(O)nc(N)nc3[nH]1)C2 ZINC000587246287 EC Annotated Anodyne NCCOCCOCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587246322 EC Annotated Anodyne NCCOCCOCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587246722 EC Annotated Anodyne COC(=O)c1ccc2nc(CCOCCOCCN)[nH]c2c1OC ZINC000587246757 EC Annotated Anodyne NCCOCCOCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587246942 EC Annotated Bother CC1=C(c2ccc3nc(-c4cnc(N)nc4O)[nH]c3c2)NNC(=O)C1 ZINC000587253252 EC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(N)nc3O)[nH]c12 ZINC000587253377 EC Annotated Anodyne Nc1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(O)n1 ZINC000587253771 EC Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587255353 EC Annotated Anodyne N[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C1CC1 ZINC000587255928 EC Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587256331 EC Annotated Reactive CC(C)(C)OC(=O)[C@H](N)CCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587256541 EC Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587256864 EC Annotated Mild COC(=O)CC[C@H](N)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587258647 EC Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587258679 EC Annotated Bother NC(=O)NCCC[C@H](N)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587258893 EC Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](N)CCCNC(N)=O)nc2cc1OC ZINC000587259128 EC Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587259930 EC Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587259956 EC Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587260051 EC Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2nc(Br)c[nH]c-2n1 ZINC000587260080 EC Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c1OC ZINC000587260111 EC Annotated Anodyne N#Cc1nc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2nc1C#N ZINC000587260529 EC Annotated Mild Nc1nc(O)c2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587261588 EC Annotated Mild COc1cc(OCc2nc3c(O)nc(N)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261677 EC Annotated Bother Nc1ncnc2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc12 ZINC000587262326 EC Annotated Mild N=c1[nH]cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc-2[nH]1 ZINC000587262714 EC Annotated Mild O=CC(C=O)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587262734 EC Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263209 EC Annotated Reactive C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263213 EC Annotated Reactive C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263214 EC Annotated Reactive C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263216 EC Annotated Reactive Nc1nc(O)c2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587263719 EC Annotated Bother Nc1nc(O)c2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1 ZINC000587263822 EC Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3nc(C#N)c(C#N)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264850 EC Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3nc(C#N)c(C#N)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264853 EC Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3nc(C#N)c(C#N)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264854 EC Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3nc(C#N)c(C#N)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264855 EC Annotated Mild N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587265661 EC Annotated Bother Nc1ncc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587267588 EC Annotated Bother Nc1nc(O)c2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2n1 ZINC000587269381 EC Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(O)nc(O)nc4[nH]3)nn2)c1 ZINC000587270633 EC Annotated Bother Nc1nc(O)c2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2n1 ZINC000587270674 EC Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cncnc2[nH]1 ZINC000587271749 EC Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cnncc2[nH]1 ZINC000587272119 EC Annotated Bother NNC(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587273517 EC Annotated Reactive O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ncc[nH]c-2n1 ZINC000587273793 EC Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587274481 EC Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587274913 EC Annotated Bother C[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277103 EC Annotated Bother C[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277105 EC Annotated Bother C[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277224 EC Annotated Bother C[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277225 EC Annotated Bother O=C1c2ccc(O)cc2O[C@@](CO)([C@@H](O)CO)[C@H]1c1ccc(F)cc1 ZINC000587358723 EC Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)([C@H](O)CO)[C@@H]1c1ccc(F)cc1 ZINC000587358740 EC Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)([C@@H](O)CO)[C@@H]1c1ccc(F)cc1 ZINC000587358741 EC Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)([C@@H](O)CO)[C@@H]1c1ccc(F)cc1 ZINC000587358744 EC Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)([C@H](O)CO)[C@@H]1c1ccc(F)cc1 ZINC000587358747 EC Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)([C@H](O)CO)[C@H]1c1ccc(F)cc1 ZINC000587358751 EC Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)([C@H](O)CO)[C@H]1c1ccc(F)cc1 ZINC000587358754 EC Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)([C@@H](O)CO)[C@H]1c1ccc(F)cc1 ZINC000587358756 EC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=CN(C[C@H](N)C(=O)O)CC1=O)O2 ZINC000587395163 EC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=CN(C[C@H](N)C(=O)O)CC1=O)O2 ZINC000587395164 EC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C[C@H](N)C(=O)O)C=CC1=O)O2 ZINC000587396464 EC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C[C@H](N)C(=O)O)C=CC1=O)O2 ZINC000587396465 EC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C3C(=CC1=O)[C@H](O)CN3C)O2 ZINC000587396485 EC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C3C(=CC1=O)[C@@H](O)CN3C)O2 ZINC000587396489 EC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C3C(=CC1=O)[C@H](O)CN3C)O2 ZINC000587396490 EC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C3C(=CC1=O)[C@@H](O)CN3C)O2 ZINC000587396492 EC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N1CCNC(=O)C1)O2 ZINC000587397374 EC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N1CCNC(=O)C1)O2 ZINC000587397375 EC Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C1)N2 ZINC000587400717 EC Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C1)N2 ZINC000587400719 EC Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401208 EC Annotated Anodyne CCOC(=O)[C@H]1CCNC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401213 EC Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401215 EC Annotated Anodyne CCOC(=O)[C@H]1CCNC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401218 EC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H]1OC(C)(C)O[C@H]1CO)O2 ZINC000587407759 EC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@H]1OC(C)(C)O[C@H]1CO)O2 ZINC000587407764 EC Annotated Anodyne COc1cc2c3c(c1)O[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)[C@@H](C2)C3=O ZINC000587434452 EC Annotated Clean COc1cc2c3c(c1)O[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)[C@@H](C2)C3=O ZINC000587434453 EC Annotated Clean COc1cc2c3c(c1)O[C@](C)(CN1C(=O)COCC1=O)[C@@H](C2)C3=O ZINC000587439557 EC Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)COCC1=O)[C@@H](C2)C3=O ZINC000587439563 EC Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C4C(=CC1=O)[C@H](O)CN4C)[C@@H](C2)C3=O ZINC000587440400 EC Annotated Mild COc1cc2c3c(c1)O[C@@]1(C=C4C(=CC1=O)[C@H](O)CN4C)[C@@H](C2)C3=O ZINC000587440402 EC Annotated Mild COc1cc2c3c(c1)O[C@@]1(C=C4C(=CC1=O)[C@@H](O)CN4C)[C@@H](C2)C3=O ZINC000587440403 EC Annotated Mild COc1cc2c3c(c1)O[C@]1(C=C4C(=CC1=O)[C@@H](O)CN4C)[C@@H](C2)C3=O ZINC000587440404 EC Annotated Mild CCOC(=O)[C@H]1CCNC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441459 EC Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441460 EC Annotated Anodyne CCOC(=O)[C@H]1CCNC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441461 EC Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441462 EC Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)N1CCNC(=O)C1)[C@@H](C2)C3=O ZINC000587442374 EC Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)N1CCNC(=O)C1)[C@@H](C2)C3=O ZINC000587442375 EC Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(CO)O[C@@H](CO)C1=O)[C@@H](C2)C3=O ZINC000587448114 EC Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(CO)O[C@@H](CO)C1=O)[C@@H](C2)C3=O ZINC000587448119 EC Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(CO)O[C@H](CO)C1=O)[C@@H](C2)C3=O ZINC000587448121 EC Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(CO)O[C@H](CO)C1=O)[C@@H](C2)C3=O ZINC000587448123 EC Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)COP(=O)(O)O)[C@@H](C2)C3=O ZINC000587448681 EC Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](O)COP(=O)(O)O)[C@@H](C2)C3=O ZINC000587448683 EC Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](O)COP(=O)(O)O)[C@@H](C2)C3=O ZINC000587448685 EC Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)COP(=O)(O)O)[C@@H](C2)C3=O ZINC000587448687 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](N)[C@@H](O)[C@H](O)CCO)CC2=O ZINC000587472505 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](N)[C@@H](O)[C@H](O)CCO)CC2=O ZINC000587472506 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(CO)O[C@H](CO)C1=O)CC2=O ZINC000587477258 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(CO)O[C@@H](CO)C1=O)CC2=O ZINC000587477260 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(CO)O[C@H](CO)C1=O)CC2=O ZINC000587477263 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(CO)O[C@@H](CO)C1=O)CC2=O ZINC000587477265 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](C)O)CC2=O ZINC000587485231 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O)CC2=O ZINC000587485236 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)CC2=O ZINC000587485238 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)CC2=O ZINC000587485240 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](C)O)CC2=O ZINC000587485241 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)CC2=O ZINC000587485243 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O)CC2=O ZINC000587485245 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)CC2=O ZINC000587485247 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@H](O)[C@@H](O)[C@H](C)O)CC2=O ZINC000587486194 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@H](O)[C@@H](O)[C@H](C)O)CC2=O ZINC000587486205 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587487113 EC Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587487118 EC Annotated Anodyne N[C@H]([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H](O)[C@H](O)CCO ZINC000587512501 EC Annotated Anodyne N[C@H]([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H](O)[C@H](O)CCO ZINC000587512503 EC Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587531634 EC Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587531642 EC Annotated Anodyne O=C1C[C@H](C[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531795 EC Annotated Anodyne O=C1C[C@@H](C[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531797 EC Annotated Anodyne C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533717 EC Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533721 EC Annotated Anodyne C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533723 EC Annotated Anodyne C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533730 EC Annotated Anodyne C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533732 EC Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533735 EC Annotated Anodyne C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533736 EC Annotated Anodyne C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533738 EC Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534057 EC Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534058 EC Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@@H](O)CO)C2=O ZINC000587534328 EC Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@@H](O)CO)C2=O ZINC000587534329 EC Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCc2cc3c(O)nc(O)nc3nc21 ZINC000587553344 EC Annotated Anodyne CCOC(=O)[C@@]1(CC(N)=O)CCCc2cc3c(O)nc(O)nc3nc21 ZINC000587553358 EC Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2CN1 ZINC000587553697 EC Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2CN1 ZINC000587553702 EC Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@@H]2CN1 ZINC000587553703 EC Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@@H]2CN1 ZINC000587553704 EC Annotated Anodyne NC(=O)c1cc2c(nc1O)CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587553921 EC Annotated Anodyne C[C@@H](Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(=O)NN ZINC000587554129 EC Annotated Reactive C[C@H](Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(=O)NN ZINC000587554140 EC Annotated Reactive CCOC(=O)CCCC(=O)NCCc1cnc2nc(O)nc(O)c2c1 ZINC000587554141 EC Annotated Anodyne NC(=O)c1c(O)ncc2c1CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587555823 EC Annotated Anodyne CC1=C(c2ccc3c(O)nc(O)nc3n2)[C@@H](C)n2nnnc2N1C ZINC000587556220 EC Annotated Anodyne CCOC(=O)[C@@H]([C@H]1CCc2cc3c(O)nc(O)nc3nc2C1)[N+](=O)[O-] ZINC000587556222 EC Annotated Mild CCOC(=O)[C@H]([C@@H]1CCc2cc3c(O)nc(O)nc3nc2C1)[N+](=O)[O-] ZINC000587556223 EC Annotated Mild CCOC(=O)[C@H]([C@H]1CCc2cc3c(O)nc(O)nc3nc2C1)[N+](=O)[O-] ZINC000587556224 EC Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCc2cc3c(O)nc(O)nc3nc2C1)[N+](=O)[O-] ZINC000587556225 EC Annotated Mild CC1=C(c2ccc3c(O)nc(O)nc3n2)[C@H](C)n2nnnc2N1C ZINC000587556227 EC Annotated Anodyne CN(C)/C=C(/c1ccc2c(O)nc(O)nc2n1)n1cc([N+](=O)[O-])cn1 ZINC000587556699 EC Annotated Bother O=c1oc(=O)n(Cc2ccc3c(O)nc(O)nc3n2)c2ccccc12 ZINC000587557120 EC Annotated Anodyne O=C1Cc2cc3c(O)nc(O)nc3nc2CCN1C[C@H]1CCCCO1 ZINC000587558412 EC Annotated Anodyne O=C1Cc2cc3c(O)nc(O)nc3nc2CCN1C[C@@H]1CCCCO1 ZINC000587558418 EC Annotated Anodyne COC(=O)[C@@H]1c2cc3c(O)nc(O)nc3nc2CC[C@H]1C(=O)OC ZINC000587559020 EC Annotated Anodyne COC(=O)[C@@H]1Cc2cc3c(O)nc(O)nc3nc2C[C@H]1C(=O)OC ZINC000587559494 EC Annotated Anodyne C=C(C)C(=O)OCCOC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587559524 EC Annotated Mild CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1CC(=O)OCC ZINC000587559708 EC Annotated Anodyne CCOC(=O)C(Cc1ccc2c(O)nc(O)nc2n1)C(=O)OCC ZINC000587559973 EC Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3nc(O)nc(O)c3cc2[C@H]1C(=O)OCC ZINC000587559994 EC Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2nc(O)nc(O)c2cc1C ZINC000587560059 EC Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc2c(O)nc(O)nc2nc1C ZINC000587560258 EC Annotated Anodyne COC(=O)C1(c2ccc3c(O)nc(O)nc3n2)CC(OC)(OC)C1 ZINC000587560538 EC Annotated Anodyne CC(=O)C(OO[C@H](C(C)=O)c1ccc2c(O)nc(O)nc2n1)C(C)=O ZINC000587561443 EC Annotated Reactive CC(=O)C(OO[C@@H](C(C)=O)c1ccc2c(O)nc(O)nc2n1)C(C)=O ZINC000587561446 EC Annotated Reactive CC1(C(=O)O)CC(=O)C(c2ccc3c(O)nc(O)nc3n2)C(=O)C1 ZINC000587561862 EC Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cnnc(O)c2[nH]1 ZINC000587566611 EC Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(N)ncnc2[nH]1 ZINC000587569648 EC Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(O)ncnc2[nH]1 ZINC000587570325 EC Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587570758 EC Annotated Anodyne O=C1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1O ZINC000587605907 EC Annotated Clean O=C1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1O ZINC000587605908 EC Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)C(=O)[C@@H]2O ZINC000587605909 EC Annotated Clean O=C1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1O ZINC000587605910 EC Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C(=O)C(O)C2=O ZINC000587606749 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C(=O)C(O)C2=O ZINC000587606750 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C[C@@H](O)[C@@H](O)CO ZINC000587608574 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@@H](O)[C@@H](O)CO ZINC000587608575 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@@H](O)[C@@H](O)CO ZINC000587608576 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C[C@@H](O)[C@@H](O)CO ZINC000587608577 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)C[C@@H](O)CO ZINC000587610524 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)C[C@H](O)CO ZINC000587610525 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)C[C@H](O)CO ZINC000587610526 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)C[C@@H](O)CO ZINC000587610527 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)CO ZINC000587613229 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)CO ZINC000587613231 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)CO ZINC000587613233 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)CO ZINC000587613234 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@H](O)CO ZINC000587613307 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@H](O)CO ZINC000587613313 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@H](O)CO ZINC000587613317 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@H](O)CO ZINC000587613318 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@H](O)[C@H](O)CO ZINC000587616669 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C[C@H](O)[C@H](O)CO ZINC000587616670 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C[C@H](O)[C@H](O)CO ZINC000587616671 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@H](O)[C@H](O)CO ZINC000587616672 EC Annotated Anodyne C[C@]1([C@@H](O)[C@H](O)CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617945 EC Annotated Anodyne C[C@@]1([C@@H](O)[C@H](O)CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617946 EC Annotated Anodyne C[C@@]1([C@@H](O)[C@H](O)CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617947 EC Annotated Anodyne C[C@]1([C@@H](O)[C@H](O)CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617948 EC Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618243 EC Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618244 EC Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618245 EC Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618246 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)CO ZINC000587619380 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)CO ZINC000587619382 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)CO ZINC000587619383 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)CO ZINC000587619385 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)CO ZINC000587619569 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)CO ZINC000587619571 EC Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)CO ZINC000587619573 EC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)CO ZINC000587619574 EC Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2c(C(=O)O)cccc12 ZINC000587637378 EC Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)N1CCNC(=O)C1 ZINC000587651793 EC Annotated Anodyne O=C(Cn1cnc([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653234 EC Annotated Bother CCN=c1nc(-n2ncc3ccc(Cl)cc3c2=O)[nH]c(=NCC)[nH]1 ZINC000587653372 EC Annotated Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654506 EC Annotated Anodyne O=C(N[C@@H]1CCS(=O)(=O)C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654507 EC Annotated Anodyne Cn1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(=O)n(C)c1=O ZINC000587654904 EC Annotated Anodyne CN(CC(=O)n1ncc2ccc(Cl)cc2c1=O)S(C)(=O)=O ZINC000587654966 EC Annotated Anodyne C[C@@H](NS(C)(=O)=O)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654998 EC Annotated Anodyne C[C@H](NS(C)(=O)=O)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654999 EC Annotated Anodyne CNC(=O)c1nc[nH]c1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587655160 EC Annotated Anodyne NNC(=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655501 EC Annotated Reactive NNC(=O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659192 EC Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)CO)N1 ZINC000587826223 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)CO)N1 ZINC000587826224 EC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)CO)N1 ZINC000587826225 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)CO)N1 ZINC000587826226 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)CO)N1 ZINC000587828467 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)CO)N1 ZINC000587828469 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)CO)N1 ZINC000587828470 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)CO)N1 ZINC000587828471 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)CO)N1 ZINC000587830127 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H](O)CO)N1 ZINC000587830129 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)CO)N1 ZINC000587830130 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H](O)CO)N1 ZINC000587830133 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)CO)N1 ZINC000587830135 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)CO)N1 ZINC000587830137 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)CO)N1 ZINC000587830139 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)CO)N1 ZINC000587830140 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)CO)N1 ZINC000587830574 EC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)CO)N1 ZINC000587830576 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)CO)N1 ZINC000587830577 EC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)CO)N1 ZINC000587830579 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(=O)C(O)C2=O ZINC000587833185 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(=O)C(O)C2=O ZINC000587833189 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)CO)N1 ZINC000587833439 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)CO)N1 ZINC000587833444 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)CO)N1 ZINC000587833446 EC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)CO)N1 ZINC000587833448 EC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(=O)C(O)C2=O ZINC000587833894 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(=O)C(O)C2=O ZINC000587833895 EC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)CO)N1 ZINC000587834029 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H](O)CO)N1 ZINC000587834031 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)CO)N1 ZINC000587834033 EC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)CO)N1 ZINC000587834035 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)CO)N1 ZINC000587834036 EC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)CO)N1 ZINC000587834037 EC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)CO)N1 ZINC000587834038 EC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H](O)CO)N1 ZINC000587834040 EC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)[C@@H]2O ZINC000587834857 EC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(=O)[C@@H]2O ZINC000587834862 EC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)[C@H]2O ZINC000587834863 EC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(=O)[C@H]2O ZINC000587834865 EC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)[C@@H]2O ZINC000587835954 EC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(=O)[C@@H]2O ZINC000587835955 EC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)[C@H]2O ZINC000587835957 EC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(=O)[C@H]2O ZINC000587835959 EC Annotated Clean COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)NN ZINC000587867499 EC Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC(=O)NN ZINC000587867622 EC Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1=NC(=O)C(=O)N1 ZINC000587869204 EC Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nn(C)c(=O)n(C)c1=O ZINC000587871691 EC Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1[nH]nnc1=N ZINC000587873273 EC Annotated Anodyne COc1ccc(Cl)cc1C#Cc1c(C(=O)O)n(C)c(=O)n(C)c1=O ZINC000587912001 EC Annotated Mild N[C@@H](CCOc1ccc(O)n1-c1cc(O)cc(C(=O)O)c1)C(=O)O ZINC000587926152 EC Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1ccnc(CCl)n1)C(=O)O ZINC000587939539 EC Annotated Reactive O=C(O)Cc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587940881 EC Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2ccnc(CCl)n2)c1O ZINC000587941948 EC Annotated Reactive O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587970289 EC Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970290 EC Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H]1C(=O)O ZINC000587970291 EC Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2cc1OC ZINC000587970459 EC Annotated Anodyne COC(=O)c1cc2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc2cc1OC ZINC000587970460 EC Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2cc1OC ZINC000587970461 EC Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1OC ZINC000587970613 EC Annotated Anodyne COC(=O)c1ccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1OC ZINC000587970614 EC Annotated Anodyne COC(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1OC ZINC000587970615 EC Annotated Anodyne O=C(O)[C@H]1C(c2nc3nc(Br)c[nH]c-3n2)[C@@H]1C(=O)O ZINC000587970860 EC Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3nc(Br)c[nH]c-3n2)[C@H]1C(=O)O ZINC000587970865 EC Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587970866 EC Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587970981 EC Annotated Bother O=C(O)[C@H]1C(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H]1C(=O)O ZINC000587970982 EC Annotated Bother O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H]1C(=O)O ZINC000587970983 EC Annotated Bother CN1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@@]3(O)[C@@H]21)OCO5 ZINC000059085633 EC Annotated Anodyne CC(=O)O[C@@H]1CC[C@@H]2C(=O)O[C@H]3C4=C(C)C(=O)O[C@@]4(O)C[C@@H]1[C@@]23C ZINC000059129321 EC Annotated Anodyne CCOC(=O)NN[C@@]1(SC)NC(=O)c2c(cc(Cl)oc2=O)O1 ZINC000006003727 EC Annotated Reactive COC[C@H]1O[C@@H](S(=O)(=O)c2ccccc2)[C@@H](O)[C@@H](OC)[C@@H]1OC ZINC000006009882 EC Annotated Anodyne COC[C@@H]1O[C@@H](S(=O)(=O)c2ccccc2)[C@@H](O)[C@@H](OC)[C@@H]1OC ZINC000006009883 EC Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[C@@H](O2)O[C@@H](O)[C@H]1O ZINC000006017717 EC Annotated Anodyne in-vitro COc1c2c(cc3c1[C@H](O)N1CC[C@]34[C@H]3O[C@H]3[C@H](OC)C[C@@H]14)OCO2 ZINC000006018396 EC Annotated Anodyne CC(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 ZINC000006036044 EC Annotated Anodyne O=c1ccc2cc3ccoc3c(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000006091642 EC Annotated Anodyne in-man endogenous COC(=O)CC[C@H](NC(=S)N/N=C/c1ccccn1)C(=O)OC ZINC000006379264 EC Annotated Mild COC(=O)CC[C@H](NC(=S)N/N=C/c1ccco1)C(=O)OC ZINC000006379266 EC Annotated Mild COC(=O)CC[C@]12CCC(=O)[C@@H]1[C@@H](C(=O)OC)C[C@H]2C(=O)OC ZINC000006379288 EC Annotated Anodyne COCN1C(=O)[C@H]2CC(/C=C\C(N)=O)=CN2C(=O)c2ccccc21 ZINC000006385413 EC Annotated Anodyne CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)C[S@](=O)C2 ZINC000006483428 EC Annotated Anodyne COc1c2c(cc3c1[C@@H](O)N1CC[C@]34[C@H]3O[C@H]3[C@H](O)C[C@@H]14)OCO2 ZINC000006483463 EC Annotated Anodyne COc1c2c(cc3c1[C@@H](O)N1CC[C@]34[C@H]3O[C@H]3[C@H](OC)C[C@@H]14)OCO2 ZINC000006483464 EC Annotated Anodyne COc1c2c(cc3c1OCO3)[C@@]13[C@@H](O)CN(C2)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]13 ZINC000006483465 EC Annotated Anodyne CC(=O)NNC1=NN(C(C)=O)[C@@]2(S1)C(=O)Nc1ccc(C)cc12 ZINC000006488451 EC Annotated Reactive CO[C@@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Cl ZINC000006491157 EC Annotated Clean CO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Cl ZINC000006491183 EC Annotated Clean CO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000006499872 EC Annotated Clean CCOC(=O)c1cnc2n(c1=N)NC(=N)/C2=N\Nc1ccccc1 ZINC000061695578 EC Annotated Mild C#CCNC(=O)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061898474 EC Annotated Mild CCn1nccc1NC(=O)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061902479 EC Annotated Anodyne CCn1nccc1NC(=O)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061904944 EC Annotated Anodyne CCC(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(C#N)c1 ZINC000061907744 EC Annotated Mild CCC(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(C#N)c1 ZINC000061907745 EC Annotated Mild CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc(C)on2)C1 ZINC000061908278 EC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)on2)C1 ZINC000061908279 EC Annotated Anodyne COc1ncnc2c1ncn2CCCN1CCN(C(=O)C2CC2)CC1 ZINC000061922622 EC Annotated Anodyne COc1ncnc2c1ncn2CCCNCCCN1CCCC1=O ZINC000061922650 EC Annotated Anodyne CC(C)(C)S(=O)(=O)N1C[C@H]2CC(=O)C(CCO)=C2[C@@H]1CCO ZINC000061924371 EC Annotated Mild CC(C)(C)S(=O)(=O)N1C[C@@H]2CC(=O)C(CCO)=C2[C@H]1CCO ZINC000061924390 EC Annotated Mild O=C(NCc1ccncc1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061927352 EC Annotated Anodyne O=C(NCc1ccco1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061928012 EC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccco2)C1 ZINC000061929697 EC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccco2)C1 ZINC000061929699 EC Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1CC1 ZINC000061930481 EC Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1CC1 ZINC000061930482 EC Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SC)N1[C@@]2(CC)C(=O)OC ZINC000061944628 EC Annotated Anodyne CNC[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061945402 EC Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)OC[C@@H]2CCCN2C1=O)NCCO ZINC000061948599 EC Annotated Anodyne O=C(C[C@H]1C/C=C\CCC(=O)OC[C@H]2CCCN2C1=O)NCCO ZINC000061948610 EC Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000061958765 EC Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@H]1c1ccc(OC(C)=O)cc1 ZINC000061958767 EC Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000061958773 EC Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@H]1c1ccc(C(=O)OC)cc1 ZINC000061958775 EC Annotated Anodyne COC(=O)[C@]12C(=O)NC[C@H](CN1c1ccc(C(F)(F)F)cc1)N2C ZINC000061969186 EC Annotated Anodyne CN(C)CCSSCCNC(=O)CNC(=O)c1cccnc1 ZINC000618007586 EC Annotated Reactive CN(C)CCSSCCNC(=O)CC(=O)N1CCOCC1 ZINC000618010162 EC Annotated Reactive C[C@@H]1CCC[C@@H]2C(=O)N[C@@H](Cn3nnn(-c4cccs4)c3=O)N[C@H]21 ZINC000618011916 EC Annotated Anodyne C[C@@H]1CCC[C@@H]2C(=O)N[C@H](Cn3nnn(-c4cccs4)c3=O)N[C@@H]21 ZINC000618011929 EC Annotated Anodyne C[C@@H]1CCC[C@@H]2C(=O)N[C@@H](Cn3nnn(-c4cccs4)c3=O)N[C@@H]21 ZINC000618011930 EC Annotated Anodyne C[C@@H]1CCC[C@@H]2C(=O)N[C@H](Cn3nnn(-c4cccs4)c3=O)N[C@H]21 ZINC000618011934 EC Annotated Anodyne COCCN(C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)C1CC1 ZINC000618012429 EC Annotated Anodyne COCCN(C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)C1CC1 ZINC000618012431 EC Annotated Anodyne C=C(C)CN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@@H]1n1nc(CC)cc1CC ZINC000618012475 EC Annotated Mild C=C(C)CN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@@H]1n1nc(CC)cc1CC ZINC000618012481 EC Annotated Mild C=C(C)CN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1n1nc(CC)cc1CC ZINC000618012482 EC Annotated Mild C=C(C)CN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1n1nc(CC)cc1CC ZINC000618012483 EC Annotated Mild Cc1nnc(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)o1 ZINC000618012484 EC Annotated Anodyne Cc1nnc(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)o1 ZINC000618012486 EC Annotated Anodyne Cc1nn([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2CC(C)C)c(C)c1C ZINC000618012728 EC Annotated Anodyne Cc1nn([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2CC(C)C)c(C)c1C ZINC000618012730 EC Annotated Anodyne Cc1nn([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2CC(C)C)c(C)c1C ZINC000618012733 EC Annotated Anodyne Cc1nn([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2CC(C)C)c(C)c1C ZINC000618012734 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ncccn2)NC(=O)[C@@H]1CC(=O)/N=c1/sccn1C ZINC000618012759 EC Annotated Anodyne C[C@@H]1N[C@H](c2ncccn2)NC(=O)[C@@H]1CC(=O)/N=c1/sccn1C ZINC000618012760 EC Annotated Anodyne C[C@@H]1N[C@H](c2ncccn2)NC(=O)[C@H]1CC(=O)/N=c1/sccn1C ZINC000618012761 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ncccn2)NC(=O)[C@H]1CC(=O)/N=c1/sccn1C ZINC000618012762 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCOC(C)(C)C1 ZINC000618012942 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCOC(C)(C)C1 ZINC000618012943 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCOC(C)(C)C1 ZINC000618012944 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCOC(C)(C)C1 ZINC000618012946 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccccn1 ZINC000618012988 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccccn1 ZINC000618012991 EC Annotated Anodyne O=C1N[C@@H]2CCCC[C@@H]2N[C@H]1Cn1nc(-c2cccs2)oc1=O ZINC000618012992 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccccn1 ZINC000618012994 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccccn1 ZINC000618012996 EC Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N[C@@H]1Cn1nc(-c2cccs2)oc1=O ZINC000618013003 EC Annotated Anodyne O=C1N[C@@H]2CCCC[C@@H]2N[C@@H]1Cn1nc(-c2cccs2)oc1=O ZINC000618013006 EC Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N[C@H]1Cn1nc(-c2cccs2)oc1=O ZINC000618013008 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@H]1CCN(C)C1 ZINC000618013080 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@H]1CCN(C)C1 ZINC000618013085 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@@H]1CCN(C)C1 ZINC000618013086 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@@H]1CCN(C)C1 ZINC000618013087 EC Annotated Anodyne C=C(C)CN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@@H]1n1nc(C)c(C)c1C ZINC000618013145 EC Annotated Mild C=C(C)CN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1n1nc(C)c(C)c1C ZINC000618013148 EC Annotated Mild C=C(C)CN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1n1nc(C)c(C)c1C ZINC000618013150 EC Annotated Mild C=C(C)CN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@@H]1n1nc(C)c(C)c1C ZINC000618013154 EC Annotated Mild COC[C@H](C)N(C)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618013162 EC Annotated Anodyne COC[C@H](C)N(C)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618013168 EC Annotated Anodyne COC[C@H](C)N(C)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618013169 EC Annotated Anodyne COC[C@H](C)N(C)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618013170 EC Annotated Anodyne C[C@@H]1N[C@H](c2ncccn2)NC(=O)[C@@H]1CC(=O)NC(C1CC1)C1CC1 ZINC000618013244 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ncccn2)NC(=O)[C@@H]1CC(=O)NC(C1CC1)C1CC1 ZINC000618013245 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ncccn2)NC(=O)[C@H]1CC(=O)NC(C1CC1)C1CC1 ZINC000618013246 EC Annotated Anodyne C[C@@H]1N[C@H](c2ncccn2)NC(=O)[C@H]1CC(=O)NC(C1CC1)C1CC1 ZINC000618013247 EC Annotated Anodyne CCN(Cc1cccc(C)c1)C[C@@H]1N[C@H]2[C@H](C(=O)NC(=O)N2C)N1C ZINC000618013248 EC Annotated Anodyne CCN(Cc1cccc(C)c1)C[C@@H]1N[C@@H]2[C@H](C(=O)NC(=O)N2C)N1C ZINC000618013251 EC Annotated Anodyne CCN(Cc1cccc(C)c1)C[C@@H]1N[C@H]2[C@@H](C(=O)NC(=O)N2C)N1C ZINC000618013252 EC Annotated Anodyne CCN(Cc1cccc(C)c1)C[C@@H]1N[C@@H]2[C@@H](C(=O)NC(=O)N2C)N1C ZINC000618013253 EC Annotated Anodyne CCc1nn(C[C@@H]2NC(=O)[C@@H]3CCCC[C@@H]3N2)c(=O)c(C#N)c1CC ZINC000618013262 EC Annotated Mild CCc1nn(C[C@@H]2NC(=O)[C@H]3CCCC[C@H]3N2)c(=O)c(C#N)c1CC ZINC000618013263 EC Annotated Mild CCc1nn(C[C@@H]2NC(=O)[C@H]3CCCC[C@@H]3N2)c(=O)c(C#N)c1CC ZINC000618013264 EC Annotated Mild CCc1nn(C[C@@H]2NC(=O)[C@@H]3CCCC[C@H]3N2)c(=O)c(C#N)c1CC ZINC000618013265 EC Annotated Mild C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCN(C)C1CC1 ZINC000618013299 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCN(C)C1CC1 ZINC000618013304 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCN(C)C1CC1 ZINC000618013305 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCN(C)C1CC1 ZINC000618013309 EC Annotated Anodyne CC[C@@H]1CN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)CCO1 ZINC000618013326 EC Annotated Anodyne CC[C@@H]1CN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)CCO1 ZINC000618013329 EC Annotated Anodyne CC[C@@H]1CN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)CCO1 ZINC000618013345 EC Annotated Anodyne O=C1NN[C@H]2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CCN12 ZINC000618013397 EC Annotated Anodyne O=C1NN[C@@H]2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CCN12 ZINC000618013403 EC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2N[C@H](CNc3ccccc3C(F)(F)F)N[C@H]21 ZINC000618013422 EC Annotated Anodyne O=C1CN[C@@H](C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CN1 ZINC000618013423 EC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2N[C@@H](CNc3ccccc3C(F)(F)F)N[C@@H]21 ZINC000618013426 EC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2N[C@H](CNc3ccccc3C(F)(F)F)N[C@@H]21 ZINC000618013427 EC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2N[C@@H](CNc3ccccc3C(F)(F)F)N[C@H]21 ZINC000618013428 EC Annotated Anodyne O=C1CN[C@H](C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CN1 ZINC000618013431 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC[C@H]1CCCO1 ZINC000618013477 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC[C@H]1CCCO1 ZINC000618013478 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC[C@@H]1CCCO1 ZINC000618013479 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC[C@@H]1CCCO1 ZINC000618013480 EC Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2CC(C)C)n1 ZINC000618013600 EC Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2CC(C)C)n1 ZINC000618013601 EC Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2CC(C)C)n1 ZINC000618013602 EC Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2CC(C)C)n1 ZINC000618013603 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCOC[C@H]1C ZINC000618013914 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCOC[C@H]1C ZINC000618013917 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCOC[C@@H]1C ZINC000618013919 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCOC[C@@H]1C ZINC000618013920 EC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2CC[C@@H](C(=O)Nc3nc(C4CC4)cs3)N[C@@H]21 ZINC000618013929 EC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2CC[C@@H](C(=O)Nc3nc(C4CC4)cs3)N[C@H]21 ZINC000618013931 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC(F)(F)F ZINC000618014032 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC(F)(F)F ZINC000618014033 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC(F)(F)F ZINC000618014034 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC(F)(F)F ZINC000618014035 EC Annotated Anodyne Cc1cc(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)no1 ZINC000618014042 EC Annotated Anodyne Cc1cc(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)no1 ZINC000618014043 EC Annotated Anodyne Cc1cc(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)no1 ZINC000618014044 EC Annotated Anodyne Cc1cc(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)no1 ZINC000618014045 EC Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2C(C)C)n1 ZINC000618014063 EC Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2C(C)C)n1 ZINC000618014064 EC Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2C(C)C)n1 ZINC000618014065 EC Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2C(C)C)n1 ZINC000618014066 EC Annotated Anodyne Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H]3CNC(=O)CN3)cc2)n1 ZINC000618014121 EC Annotated Anodyne Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H]3CNC(=O)CN3)cc2)n1 ZINC000618014125 EC Annotated Anodyne Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H]3CNC(=O)CN3)cc2)n1 ZINC000618014126 EC Annotated Anodyne Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CNC(=O)CN3)cc2)n1 ZINC000618014127 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cc[nH]n1 ZINC000618014262 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cc[nH]n1 ZINC000618014268 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cc[nH]n1 ZINC000618014269 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cc[nH]n1 ZINC000618014270 EC Annotated Anodyne CN1[C@H](c2csnn2)N[C@H]2[C@@H]1C(=O)NC(=O)N2Cc1ccccc1 ZINC000618014321 EC Annotated Anodyne CN1[C@H](c2csnn2)N[C@@H]2[C@@H]1C(=O)NC(=O)N2Cc1ccccc1 ZINC000618014322 EC Annotated Anodyne CN1[C@@H]2C(=O)NC(=O)N(Cc3ccccc3)[C@@H]2N[C@H]1c1csnn1 ZINC000618014323 EC Annotated Anodyne CN1[C@@H]2C(=O)NC(=O)N(Cc3ccccc3)[C@H]2N[C@H]1c1csnn1 ZINC000618014324 EC Annotated Anodyne COC1CCN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)CC1 ZINC000618014442 EC Annotated Anodyne COC1CCN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)CC1 ZINC000618014444 EC Annotated Anodyne COC1CCN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)CC1 ZINC000618014445 EC Annotated Anodyne COC1CCN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)CC1 ZINC000618014446 EC Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@@H]1n1nc(C)c(C)c1C ZINC000618014504 EC Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1n1nc(C)c(C)c1C ZINC000618014506 EC Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1n1nc(C)c(C)c1C ZINC000618014507 EC Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@@H]1n1nc(C)c(C)c1C ZINC000618014508 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCn1ccnc1 ZINC000618014515 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCn1ccnc1 ZINC000618014519 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCn1ccnc1 ZINC000618014520 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCn1ccnc1 ZINC000618014522 EC Annotated Anodyne C[C@H]1CC[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1 ZINC000618014532 EC Annotated Mild C[C@H]1CC[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1 ZINC000618014533 EC Annotated Mild C[C@@H]1CC[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1 ZINC000618014534 EC Annotated Mild C[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1 ZINC000618014535 EC Annotated Mild C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccnn1C ZINC000618014646 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccnn1C ZINC000618014651 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccnn1C ZINC000618014652 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccnn1C ZINC000618014653 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1nccs1 ZINC000618014676 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1nccs1 ZINC000618014679 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1nccs1 ZINC000618014680 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1nccs1 ZINC000618014681 EC Annotated Anodyne Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H](C)[C@@H]3C(=O)N[C@@H](O)N[C@H]3N2)c1 ZINC000618014744 EC Annotated Anodyne Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H](C)[C@@H]3C(=O)N[C@H](O)N[C@H]3N2)c1 ZINC000618014745 EC Annotated Anodyne Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H](C)[C@@H]3C(=O)N[C@H](O)N[C@@H]3N2)c1 ZINC000618014746 EC Annotated Anodyne Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H](C)[C@@H]3C(=O)N[C@@H](O)N[C@@H]3N2)c1 ZINC000618014747 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)Nc1cnn(C)c1 ZINC000618014752 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)Nc1cnn(C)c1 ZINC000618014753 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)Nc1cnn(C)c1 ZINC000618014754 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)Nc1cnn(C)c1 ZINC000618014755 EC Annotated Anodyne Cc1cc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)n(C)n1 ZINC000618014841 EC Annotated Anodyne Cc1cc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)n(C)n1 ZINC000618014845 EC Annotated Anodyne Cc1cc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)n(C)n1 ZINC000618014847 EC Annotated Anodyne Cc1cc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)n(C)n1 ZINC000618014848 EC Annotated Anodyne C[C@@H]1CCC[C@@H]2C(=O)N[C@H](Cn3nnn(-c4ccccc4)c3=O)N[C@H]21 ZINC000618014850 EC Annotated Anodyne C[C@@H]1CCC[C@@H]2C(=O)N[C@H](Cn3nnn(-c4ccccc4)c3=O)N[C@@H]21 ZINC000618014852 EC Annotated Anodyne C[C@@H]1CCC[C@@H]2C(=O)N[C@@H](Cn3nnn(-c4ccccc4)c3=O)N[C@H]21 ZINC000618014854 EC Annotated Anodyne C[C@@H]1CCC[C@@H]2C(=O)N[C@@H](Cn3nnn(-c4ccccc4)c3=O)N[C@@H]21 ZINC000618014855 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccncc1 ZINC000618014856 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccncc1 ZINC000618014857 EC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccncc1 ZINC000618014858 EC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccncc1 ZINC000618014860 EC Annotated Anodyne CCc1cc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)n[nH]1 ZINC000618014901 EC Annotated Anodyne CCc1cc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)n[nH]1 ZINC000618014903 EC Annotated Anodyne CCc1cc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)n[nH]1 ZINC000618014904 EC Annotated Anodyne CCc1cc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)n[nH]1 ZINC000618014905 EC Annotated Anodyne C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)=NC(=O)N=2 ZINC000618014995 EC Annotated Anodyne C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)=NC(=O)N=2 ZINC000618014996 EC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](Br)N2CC(=O)C(C)(C)C ZINC000618015881 EC Annotated Reactive CN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](Br)N2CC(=O)C(C)(C)C ZINC000618015896 EC Annotated Reactive CN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](Br)N2CC(=O)C(C)(C)C ZINC000618015898 EC Annotated Reactive CN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](Br)N2CC(=O)C(C)(C)C ZINC000618015899 EC Annotated Reactive C/C=C/CN1[C@H](S[C@H](C)C(C)=O)N[C@@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618016098 EC Annotated Anodyne C/C=C/CN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1S[C@H](C)C(C)=O ZINC000618016099 EC Annotated Anodyne C/C=C/CN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1S[C@H](C)C(C)=O ZINC000618016100 EC Annotated Anodyne C/C=C/CN1[C@H](S[C@H](C)C(C)=O)N[C@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618016101 EC Annotated Anodyne CC(=O)[C@H](C)S[C@@H]1N[C@H]2[C@H](C(=O)NC(=O)N2C)N1CCC(C)C ZINC000618016102 EC Annotated Anodyne CC(=O)[C@H](C)S[C@@H]1N[C@@H]2[C@@H](C(=O)NC(=O)N2C)N1CCC(C)C ZINC000618016103 EC Annotated Anodyne CC(=O)[C@H](C)S[C@@H]1N[C@@H]2[C@H](C(=O)NC(=O)N2C)N1CCC(C)C ZINC000618016104 EC Annotated Anodyne CC(=O)[C@H](C)S[C@@H]1N[C@H]2[C@@H](C(=O)NC(=O)N2C)N1CCC(C)C ZINC000618016105 EC Annotated Anodyne CCCCCCN1[C@H](SCC(C)=O)N[C@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618016116 EC Annotated Anodyne CCCCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1SCC(C)=O ZINC000618016117 EC Annotated Anodyne CCCCCCN1[C@H](SCC(C)=O)N[C@@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618016118 EC Annotated Anodyne CCCCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1SCC(C)=O ZINC000618016119 EC Annotated Anodyne C[C@@H]1[C@H](C(=O)NC2(C#N)CC2)S[C@@H]2N[C@@H](c3ccco3)NC(=O)[C@H]21 ZINC000618016133 EC Annotated Mild C[C@H]1[C@H]2C(=O)N[C@@H](c3ccco3)N[C@H]2S[C@H]1C(=O)NC1(C#N)CC1 ZINC000618016134 EC Annotated Mild C[C@@H]1[C@H](C(=O)NC2(C#N)CC2)S[C@@H]2N[C@H](c3ccco3)NC(=O)[C@H]21 ZINC000618016135 EC Annotated Mild C[C@H]1[C@H]2C(=O)N[C@H](c3ccco3)N[C@H]2S[C@H]1C(=O)NC1(C#N)CC1 ZINC000618016136 EC Annotated Mild C[C@@H]1CN(CCc2ccccc2)[C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2C1 ZINC000618016146 EC Annotated Anodyne C[C@@H]1CN(CCc2ccccc2)[C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2C1 ZINC000618016147 EC Annotated Anodyne C[C@@H]1CN(CCc2ccccc2)[C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2C1 ZINC000618016148 EC Annotated Anodyne CC1CCN(C(=O)[C@@H]2SN[C@@H]3C(=O)N(C4CC4)C(=O)N[C@H]32)CC1 ZINC000618016415 EC Annotated Anodyne CC1CCN(C(=O)[C@@H]2SN[C@H]3C(=O)N(C4CC4)C(=O)N[C@H]32)CC1 ZINC000618016416 EC Annotated Anodyne CC1CCN(C(=O)[C@@H]2SN[C@H]3C(=O)N(C4CC4)C(=O)N[C@@H]32)CC1 ZINC000618016417 EC Annotated Anodyne CC1CCN(C(=O)[C@@H]2SN[C@@H]3C(=O)N(C4CC4)C(=O)N[C@@H]32)CC1 ZINC000618016418 EC Annotated Anodyne CCN(Cc1ccco1)C(=O)[C@@H]1SN[C@@H]2C(=O)N(C)C(=O)N[C@@H]21 ZINC000618016537 EC Annotated Anodyne CCN(Cc1ccco1)C(=O)[C@@H]1SN[C@H]2C(=O)N(C)C(=O)N[C@H]21 ZINC000618016544 EC Annotated Anodyne CCN(Cc1ccco1)C(=O)[C@@H]1SN[C@H]2C(=O)N(C)C(=O)N[C@@H]21 ZINC000618016545 EC Annotated Anodyne CCN(Cc1ccco1)C(=O)[C@@H]1SN[C@@H]2C(=O)N(C)C(=O)N[C@H]21 ZINC000618016546 EC Annotated Anodyne COC(=O)[C@@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)O)C(=O)N[C@@H]1C ZINC000618016719 EC Annotated Anodyne CN(C)CCSSCCCNC(=O)CN1CCN(C)CC1 ZINC000618016725 EC Annotated Reactive COC(=O)[C@@H]1C[C@H](C(=O)Nc2ccccc2C(=O)O)C(=O)N[C@H]1C ZINC000618016726 EC Annotated Anodyne COC(=O)[C@@H]1C[C@H](C(=O)Nc2ccccc2C(=O)O)C(=O)N[C@@H]1C ZINC000618016727 EC Annotated Anodyne COC(=O)[C@@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)O)C(=O)N[C@H]1C ZINC000618016728 EC Annotated Anodyne CN(C)CCSSCCNC(=O)c1cnc2nncn2c1 ZINC000618016917 EC Annotated Reactive C=CS(=O)(=O)N1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000618020219 EC Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc([C@@H]3CCOC3)no2)CC1 ZINC000618020258 EC Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc([C@H]3CCOC3)no2)CC1 ZINC000618020259 EC Annotated Anodyne Cc1cc2nc(CN3CCCn4nc(CO)cc4C3)cc(O)n2n1 ZINC000618020297 EC Annotated Anodyne CNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1nnc(O)c2ccccc12 ZINC000621430190 EC Annotated Anodyne CNC(=O)C1(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)[nH]n2)CC1 ZINC000621430375 EC Annotated Anodyne CN=c1nc(OC)[nH]c(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000621430389 EC Annotated Anodyne COC(=O)[C@H](C)n1c(=O)c2c(nc3n(C(C)C)c(C)cn23)n(C)c1=O ZINC000621431451 EC Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(C(C)C)c(C)cn23)n(C)c1=O ZINC000621431452 EC Annotated Anodyne Cc1nn(C[C@H](C)C(=O)NS(C)(=O)=O)c(C)c1Br ZINC000621476482 EC Annotated Anodyne Cc1nn(C[C@@H](C)C(=O)NS(C)(=O)=O)c(C)c1Br ZINC000621476483 EC Annotated Anodyne O=C(CNC(=O)c1ncc[nH]1)Nc1cccc2c(O)nnc(O)c12 ZINC000621476513 EC Annotated Anodyne O=C(CNC(=O)c1cn[nH]c1)Nc1cccc2c(O)nnc(O)c12 ZINC000621476563 EC Annotated Anodyne O=C1O[C@@H](CO)CN1c1ccc([C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)c(F)c1 ZINC000621477799 EC Annotated Anodyne O=C(O)C1=C/C(=C\C=[N+]2\CCc3cc(O)c(O)cc32)C[C@H](C(=O)O)N1 ZINC000062592130 EC Annotated Clean CC(=O)N[C@H]1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3c(C)c2F)C1 ZINC000063539391 EC Annotated Anodyne CC(=O)N[C@@H]1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3c(C)c2F)C1 ZINC000063539392 EC Annotated Anodyne CN(C)C[C@H](CO)Cn1c(N)nc2ccc3c(c21)C[C@H](CO)CO3 ZINC000064348975 EC Annotated Anodyne CN(C)C[C@@H](CO)Cn1c(N)nc2ccc3c(c21)C[C@H](CO)CO3 ZINC000064348976 EC Annotated Anodyne CN(C)C[C@@H](CO)Cn1c(N)nc2ccc3c(c21)C[C@@H](CO)CO3 ZINC000064348978 EC Annotated Anodyne CN1CCN(C[C@H]2N=c3cccc4c3=C(c3ccccc3-4)[N+]2=O)CC1 ZINC000064446587 EC Annotated Anodyne O=P(NN1CCOCC1)(NN1CCOCC1)Oc1ccccc1 ZINC000064447287 EC Annotated Anodyne O=P(NN1CCOCC1)(NN1CCOCC1)c1ccccc1 ZINC000064454516 EC Annotated Anodyne N#Cc1ccc(C#Cc2nc(C(N)=O)nn2COCCCO)cc1 ZINC000064513530 EC Annotated Mild CCCCCCCC/N=C1\SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 ZINC000064528092 EC Annotated Mild NC(=O)c1nc(C#Cc2ccc(Cl)cc2)n(COCCCO)n1 ZINC000064540953 EC Annotated Mild CCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064548420 EC Annotated Anodyne CCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064548421 EC Annotated Anodyne NS(=O)(=O)c1cn(CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000064553420 EC Annotated Bother NS(=O)(=O)c1cn(CC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000064553934 EC Annotated Bother Oc1cc2c3c(c1O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CCC[C@@H]3CCC2 ZINC000064559439 EC Annotated Anodyne Oc1cc2c3c(c1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CCC[C@@H]3CCC2 ZINC000064559440 EC Annotated Anodyne Oc1cc2c3c(c1O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CCC[C@H]3CCC2 ZINC000064559441 EC Annotated Anodyne Oc1cc2c3c(c1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CCC[C@H]3CCC2 ZINC000064559442 EC Annotated Anodyne Oc1c(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc2c3c1CCC[C@@H]3CCC2 ZINC000064559443 EC Annotated Anodyne Oc1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc2c3c1CCC[C@@H]3CCC2 ZINC000064559444 EC Annotated Anodyne Oc1c(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc2c3c1CCC[C@H]3CCC2 ZINC000064559445 EC Annotated Anodyne Oc1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc2c3c1CCC[C@H]3CCC2 ZINC000064559446 EC Annotated Anodyne CC(C)[C@@H](C(N)=O)n1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000064622677 EC Annotated Anodyne O=C(OC12CC3C[C@@H](C1)C(O)[C@H](C3)C2)C(F)(F)S(=O)(=O)O ZINC000064624600 EC Annotated Anodyne in-vitro COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[C@@H](O2)O[C@H](O)[C@@H]1O ZINC000064633365 EC Annotated Anodyne in-vitro COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[C@@H](O2)O[C@H](O)[C@H]1O ZINC000064633367 EC Annotated Anodyne in-vitro COc1cc(O)c([C@@H](C=O)[C@@H](O)C=O)c2oc(=O)c3c(c12)COC3=O ZINC000064633368 EC Annotated Mild in-vitro COc1cc(O)c([C@H](C=O)[C@H](O)C=O)c2oc(=O)c3c(c12)COC3=O ZINC000064633370 EC Annotated Mild in-vitro COc1cc(O)c([C@H](C=O)[C@@H](O)C=O)c2oc(=O)c3c(c12)COC3=O ZINC000064633373 EC Annotated Mild in-vitro CO[C@H]1OC(=O)C[C@]2(O)[C@@]3(C)CCC[C@]4(C)C(=O)O[C@@H]([C@@H]43)[C@H]3O[C@]132 ZINC000006500017 EC Annotated Anodyne O=C1NC(S(=O)(=O)O)=NNC12c1ccccc1-c1ccccc12 ZINC000006576004 EC Annotated Anodyne N#Cc1nc(CC[C@H](C(=O)O)N2C(=O)c3ccccc3C2=O)oc1N ZINC000006576058 EC Annotated Mild O=C(CN1CC(=O)N2CCCC[C@@H]2C1=O)Nc1ccc(C(=O)O)cc1 ZINC000006751353 EC Annotated Anodyne O=C(CN1CC(=O)N2CCCC[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 ZINC000006751354 EC Annotated Anodyne CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1c[nH]cn1 ZINC000006751810 EC Annotated Anodyne Cn1c(=O)[nH]c2nnc(-c3cc(Br)cs3)nc2c1=O ZINC000006752731 EC Annotated Anodyne O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000006780058 EC Annotated Anodyne CCOC(=O)C1CCN(C(=O)Cn2nc(C)n3cccc3c2=O)CC1 ZINC000006799510 EC Annotated Anodyne Cc1nn(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2cccn12 ZINC000006799515 EC Annotated Anodyne O=C(CN1C(=O)CSc2ncccc21)NCCCN1CCCC1=O ZINC000006802482 EC Annotated Anodyne COc1cc(Cc2nnc(C(=O)NCCO)o2)cc(OC)c1OC ZINC000006822326 EC Annotated Anodyne NC(=O)COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000006886631 EC Annotated Anodyne NC(=O)COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000006886632 EC Annotated Anodyne NC(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000006886633 EC Annotated Anodyne NC(=O)COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000006886635 EC Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)NCc1ccccn1 ZINC000006900310 EC Annotated Anodyne O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NC[C@@H]1CCCO1 ZINC000006936039 EC Annotated Anodyne O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NC[C@H]1CCCO1 ZINC000006936043 EC Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)NCCC(C)C ZINC000006938596 EC Annotated Anodyne CCC(C)(C)NS(=O)(=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C ZINC000006938625 EC Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)N1CCCC1)n(C)c(=O)c(=O)n2C ZINC000006938810 EC Annotated Anodyne Cc1c[nH]c(CN(C)C(=O)[C@@]23CNC[C@@H]2CN(c2ncccn2)C3)n1 ZINC000065394697 EC Annotated Anodyne CC(C)(C)SCCNC(=O)[C@@]12CNC[C@@H]1CN(S(C)(=O)=O)C2 ZINC000065398136 EC Annotated Anodyne CC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCCOc2ccccc2F)C1 ZINC000065429286 EC Annotated Anodyne CC1=CC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)O1 ZINC000653686884 EC Annotated Bother Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N2CCNC2=C1[N+](=O)[O-] ZINC000653689386 EC Annotated Reactive Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N2CCNC2=C1[N+](=O)[O-] ZINC000653689387 EC Annotated Reactive O=C1C=C[C@]2(CCCC23OCCO3)N1C(=O)CCN1CCOCC1 ZINC000653692101 EC Annotated Anodyne O=C1C=C[C@@]2(CCCC23OCCO3)N1C(=O)CCN1CCOCC1 ZINC000653692102 EC Annotated Anodyne NNC(=O)Cn1cnc2c(oc3nc(C(F)(F)F)ccc32)c1=O ZINC000653695820 EC Annotated Reactive O=C(NO)[C@H]1O[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H](O)[C@H]1O ZINC000653697108 EC Annotated Mild O=C(NO)[C@@H]1O[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H](O)[C@H]1O ZINC000653697109 EC Annotated Mild O=c1nc(O)c(C#CCc2ccccc2)cn1CCC(CO)CO ZINC000653697781 EC Annotated Mild Oc1ccc2cc1-c1cc(ccc1O)C[C@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C2 ZINC000653697791 EC Annotated Anodyne N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2c(O)c(O)c(O)cc12 ZINC000653698660 EC Annotated Clean O=C(NO)[C@@H]1O[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H](O)[C@H]1O ZINC000653710285 EC Annotated Mild O=C1C=C[C@H](O)[C@H](C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/c2ccccc2)O1 ZINC000653719903 EC Annotated Anodyne NS(=O)(=O)c1ccccc1NC1=c2cc(Cl)ccc2=NC1=O ZINC000653724588 EC Annotated Anodyne Cc1nc(C(=O)NO)c(N)c2c1C(=O)N(Cc1ccccc1)C2=O ZINC000653755843 EC Annotated Anodyne CCN1C(=O)[C@@](O)(Cc2nn[nH]n2)c2cc(Br)ccc21 ZINC000653758595 EC Annotated Anodyne CCN1C(=O)[C@](O)(Cc2nn[nH]n2)c2cc(Br)ccc21 ZINC000653758596 EC Annotated Anodyne Cc1nc(C(=O)NC#N)c(N)c2c1C(=O)N(Cc1ccccc1)C2=O ZINC000653778074 EC Annotated Anodyne O=C(NCCc1cnc[nH]1)c1cn(CCc2ccc(O)cc2)nn1 ZINC000653780327 EC Annotated Anodyne N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000653780472 EC Annotated Reactive N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@]12C(=O)Nc1ccc(F)cc12 ZINC000653780473 EC Annotated Reactive CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CCn1ccc(O)nc1=O ZINC000653795861 EC Annotated Reactive CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CCn1ccc(O)nc1=O ZINC000653795862 EC Annotated Reactive CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CCn1ccc(=N)nc1O ZINC000653798238 EC Annotated Reactive CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CCn1ccc(=N)nc1O ZINC000653798239 EC Annotated Reactive Cc1ccc(CC(=O)Nc2cnc(C(=O)NO)c(O)c2CO)cc1 ZINC000653803277 EC Annotated Anodyne N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000653811152 EC Annotated Reactive N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000653811153 EC Annotated Reactive O=c1nc(O)c(I)cn1[C@H]1CC[C@@H](CO)C1 ZINC000653819568 EC Annotated Anodyne Nc1cc(N2C[C@@H](C(=O)NO)OC2=O)ccc1C#CC#CC1CC1 ZINC000653825403 EC Annotated Mild O=C(NO)[C@@H]1CN(c2ccc(C#CC#CCCCO)cc2)C(=O)O1 ZINC000653827652 EC Annotated Mild O=C(NO)[C@@H]1CN(c2ccc(C#CC#C[C@H]3C[C@@H]3CO)cc2)C(=O)O1 ZINC000653827680 EC Annotated Mild O=C(c1ccc(Cl)cc1)N1CCN(c2nnc3nncn3n2)CC1 ZINC000653827909 EC Annotated Anodyne NC(O)=C1C=CN(CCC[n+]2cccc(NC(=O)C=[N+]=O)c2)C=C1 ZINC000653829403 EC Annotated Anodyne NC(O)=C1C=CN(CCCC[n+]2cccc(NC(=O)C=[N+]=O)c2)C=C1 ZINC000653829407 EC Annotated Anodyne N=C(N)NC(=O)c1nc(Cl)c(NC2Cc3ccccc3C2)nc1N ZINC000653861061 EC Annotated Anodyne C[C@H]1C[C@H]2CC[C@H]3OC(=O)[C@@H]([C@@H]1SCCS(=O)(=O)O)[C@@]23O ZINC000653861105 EC Annotated Anodyne C[C@H]1C[C@H]2CC[C@H]3OC(=O)[C@H]([C@@H]1SCCS(=O)(=O)O)[C@@]23O ZINC000653861106 EC Annotated Anodyne COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](n2cc(Cc3ccccc3)nn2)C1 ZINC000653866651 EC Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)CNc1nc[nH]c2ncnc1-2 ZINC000653901683 EC Annotated Anodyne COC(=O)[C@@H](N)CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@H]1[C@@]23O ZINC000653912870 EC Annotated Anodyne COC(=O)[C@@H](N)CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@@H]1[C@@]23O ZINC000653912871 EC Annotated Anodyne Nc1nccnc1C(=O)NN1C(=O)CS[C@H]1c1ccc(O)cc1 ZINC000653918426 EC Annotated Anodyne Nc1nccnc1C(=O)NN1C(=O)CS[C@@H]1c1ccc(O)cc1 ZINC000653918427 EC Annotated Anodyne C[C@@H](O)[C@H](C(=O)NO)N1Cc2cc(Br)ccc2C1=O ZINC000066066206 EC Annotated Bother CN(C)CCn1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O ZINC000066074339 EC Annotated Anodyne CC1(C)S[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)S1 ZINC000066074913 EC Annotated Anodyne CC1(C)S[C@@H](C(=O)O)[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)S1 ZINC000066074914 EC Annotated Anodyne CC1(C)S[C@H](C(=O)O)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)S1 ZINC000066074915 EC Annotated Anodyne CC1(C)S[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C(=O)O)S1 ZINC000066074916 EC Annotated Anodyne Cc1ccc2c(c1)/C(=N/NC(=S)NO)C(=O)N2CN1CCOCC1 ZINC000066077107 EC Annotated Mild C[C@@H](O)[C@@H](NC(=O)N1CCC(C#Cc2ccccc2)CC1)C(=O)NO ZINC000066098487 EC Annotated Mild NC(=O)c1nc(-c2n[nH]nc2C2=CCCCC2)n(COCCO)n1 ZINC000066100341 EC Annotated Anodyne CONC(=S)N/N=C1\C(=O)N(CN(C)C)c2ccc(F)cc21 ZINC000066101713 EC Annotated Mild CONC(=S)N/N=C1\C(=O)N(CN(C)C)c2ccc(Cl)cc21 ZINC000066104460 EC Annotated Mild Nc1nc(-c2ccc(P(=O)(O)O)o2)c(N2CCOCC2)s1 ZINC000066104661 EC Annotated Anodyne COC(=O)[C@H]([C@H](C)O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C ZINC000066104741 EC Annotated Anodyne COC(=O)[C@H]([C@@H](C)O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C ZINC000066104743 EC Annotated Anodyne COC(=O)[C@H](CC(N)=O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C ZINC000066104746 EC Annotated Anodyne Cn1cc(-c2cnn3c(N)c(CCO)c([C@@H]4CCCNC4)nc23)cn1 ZINC000066104780 EC Annotated Anodyne Cn1cc(-c2cnn3c(N)c(CCO)c([C@H]4CCCNC4)nc23)cn1 ZINC000066104782 EC Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1 ZINC000066111549 EC Annotated Anodyne CN(C)CN1C(=O)/C(=N\NC(=S)NO)c2cc(Cl)ccc21 ZINC000066157215 EC Annotated Mild CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](CC(=O)O)C(=O)O ZINC000066251806 EC Annotated Anodyne CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](CC(N)=O)C(=O)O ZINC000066259415 EC Annotated Anodyne CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](CCC(N)=O)C(=O)O ZINC000066259730 EC Annotated Anodyne Cc1ccc(-c2n[nH]nc2-c2nc(C(N)=O)nn2COCCO)cc1 ZINC000066262105 EC Annotated Anodyne CN(Cc1n[nH]c2c1CCCC2)c1nc2c(c(=O)[nH]1)CCNCC2 ZINC000067588676 EC Annotated Anodyne CS(=O)(=O)NC[C@@H]1CCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067696481 EC Annotated Anodyne CS(=O)(=O)NC[C@H]1CCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067696484 EC Annotated Anodyne Cn1ccnc1CN1CC[C@H](CNS(=O)(=O)c2cccnc2)C1 ZINC000067910148 EC Annotated Anodyne Cn1ccnc1CN1CC[C@@H](CNS(=O)(=O)c2cccnc2)C1 ZINC000067910152 EC Annotated Anodyne CC(=O)NCc1nnc2n1CCN(c1ncnc3c1CCC3)CC2 ZINC000067946482 EC Annotated Anodyne CCN(Cc1cccc(C(=O)Nc2cn(C)nn2)c1)[C@H]1COC[C@@H]1O ZINC000067975396 EC Annotated Anodyne CCNC(=O)N[C@@H]1CN(CC(=O)NCc2ccccc2C)C[C@@H]1OC ZINC000069902634 EC Annotated Anodyne CCNC(=O)N[C@H]1CN(CC(=O)NCc2ccccc2C)C[C@@H]1OC ZINC000069902636 EC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2ccsc2=N)cc1 ZINC000007238783 EC Annotated Anodyne CC[C@@H](O)[C@@H]1C=CC[C@@H]2CC(=O)NCCCCN(C=O)CCCN12 ZINC000070454162 EC Annotated Anodyne in-vitro biogenic COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@]1(O)[C@@H](O2)O[C@@H]2O[C@@H]21 ZINC000070647043 EC Annotated Anodyne in-vitro COc1cc(O)c([C@@H](C=O)[C@H](O)CO)c2oc(=O)c3c(c12)CCC3=O ZINC000070647044 EC Annotated Mild in-vitro COc1cc(O)c([C@H](C=O)[C@H](O)CO)c2oc(=O)c3c(c12)CCC3=O ZINC000070647045 EC Annotated Mild in-vitro COc1cc(O)c([C@@H](C=O)[C@@H](O)CO)c2oc(=O)c3c(c12)CCC3=O ZINC000070647046 EC Annotated Mild in-vitro COc1cc(O)c([C@H](C=O)[C@@H](O)CO)c2oc(=O)c3c(c12)CCC3=O ZINC000070647047 EC Annotated Mild in-vitro COc1cc(O)c([C@@H](CO)[C@H](O)C=O)c2oc(=O)c3c(c12)CCC3=O ZINC000070647048 EC Annotated Mild in-vitro COc1cc(O)c([C@H](CO)[C@H](O)C=O)c2oc(=O)c3c(c12)CCC3=O ZINC000070647049 EC Annotated Mild in-vitro COc1cc(O)c([C@@H](C=O)[C@@H](O)C=O)c2oc(=O)c3c(c12)CCC3=O ZINC000070647054 EC Annotated Mild in-vitro COCCOCCOCCOCCOC(=O)NCC[N+](C)(C)C ZINC000071282095 EC Annotated Bother COCCOCCOCCOCCOC(=O)N1CC[N+](C)(C)CC1 ZINC000071295599 EC Annotated Bother CC(C)N1CCN(C(=O)c2cnc(CN3CCOCC3)cn2)CC1 ZINC000071295701 EC Annotated Anodyne CCCCCNC(=O)CCNC(=O)[C@H](O)[C@@](C)(CO)CC1CC1 ZINC000071318791 EC Annotated Anodyne CS(=O)(=O)Nn1c(=O)[nH]c2cc(-c3ccccc3)ccc2c1=O ZINC000071331386 EC Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@H]1CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@H]2O ZINC000071335253 EC Annotated Anodyne CNCCn1cc(CCN(C)C)c2c1C(=O)c1cnccc1C2=O ZINC000071341652 EC Annotated Clean COC(=O)[C@@H]1CCCN1C[P@@](=O)(O)CN1CCC[C@@H]1C(=O)OC ZINC000071929046 EC Annotated Anodyne CN1CC(=O)N([C@@H]2CCNC2)Cc2c(NC3CCCC3)ncnc21 ZINC000071994327 EC Annotated Anodyne CN1CC(=O)N([C@H]2CCNC2)Cc2c(NC3CCCC3)ncnc21 ZINC000071994328 EC Annotated Anodyne CN1CC(=O)N(C2CCC2)Cc2c(NC3CCNCC3)ncnc21 ZINC000071995799 EC Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)c1c[nH]c(-c2cc(-c3ccccc3)on2)n1 ZINC000072104727 EC Annotated Anodyne CC(C)[C@H](N)C(=O)NNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1 ZINC000072107007 EC Annotated Reactive C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H]2CCCN2)Cc2c1[nH]c1ccccc21 ZINC000072107009 EC Annotated Reactive COC1=CC(=O)[C@@]2([C@@H](C)[C@H](O)c3ccc(OC)c(O)c3)O[C@H]2C1=O ZINC000072107644 EC Annotated Mild in-vitro COC1=CC(=O)[C@@]2([C@H](C)[C@H](O)c3ccc(OC)c(O)c3)O[C@H]2C1=O ZINC000072107645 EC Annotated Mild in-vitro COC1=CC(=O)[C@@]2([C@@H](C)[C@@H](O)c3ccc(OC)c(O)c3)O[C@H]2C1=O ZINC000072107646 EC Annotated Mild in-vitro COC1=CC(=O)[C@@]2([C@H](C)[C@@H](O)c3ccc(OC)c(O)c3)O[C@H]2C1=O ZINC000072107647 EC Annotated Mild in-vitro NC(=O)c1nonc1CSCC(=O)Oc1ccccc1C(=O)O ZINC000072116305 EC Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 ZINC000072118175 EC Annotated Bother COc1nc(CC(O)(COC(C)=O)COC(C)=O)c(C)c(OC)n1 ZINC000072127568 EC Annotated Anodyne COc1nc(=O)n(C)c(CC(F)(COC(C)=O)COC(C)=O)c1C ZINC000072127901 EC Annotated Anodyne CN(C)CCN(C)[C@@H]1CN(Cc2ccc(F)cc2)S(=O)(=O)C1 ZINC000072136275 EC Annotated Anodyne CN(C)CCN(C)[C@H]1CN(Cc2ccc(F)cc2)S(=O)(=O)C1 ZINC000072136276 EC Annotated Anodyne CN(C)CCN1CCN([C@@H]2CN(C3CCCC3)S(=O)(=O)C2)CC1 ZINC000072140803 EC Annotated Anodyne CN(C)CCN1CCN([C@H]2CN(C3CCCC3)S(=O)(=O)C2)CC1 ZINC000072140804 EC Annotated Anodyne NC(=O)CCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072141507 EC Annotated Anodyne NC(=O)CCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072141508 EC Annotated Anodyne Nc1ncn(C/C=C2\OC(=O)C(O)=C2OCc2ccccc2)c(=O)n1 ZINC000072173067 EC Annotated Anodyne N#CNCCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072175582 EC Annotated Anodyne N#CNCCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072175583 EC Annotated Anodyne O=C1NN=C(c2ccccc2)/C1=C/N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000072177662 EC Annotated Clean C#CCN1CCCC[C@@H]1C(=O)NCCc1nc(-c2ncccn2)no1 ZINC000072232596 EC Annotated Anodyne C#CCN1CCCC[C@H]1C(=O)NCCc1nc(-c2ncccn2)no1 ZINC000072232597 EC Annotated Anodyne Cc1nnc(CN(C)CC(=O)NC[C@H]2COc3ccccc3C2)n1C ZINC000072294509 EC Annotated Anodyne Cc1nnc(CN(C)CC(=O)NC[C@@H]2COc3ccccc3C2)n1C ZINC000072294510 EC Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCOC ZINC000072323513 EC Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCN(C)C ZINC000072323515 EC Annotated Mild O=C(c1cccnc1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 ZINC000072346931 EC Annotated Anodyne O[C@@]1(CN2CCc3nnc(Cc4cccnc4)n3CC2)CCCNC1 ZINC000072419482 EC Annotated Anodyne O[C@]1(CN2CCc3nnc(Cc4cccnc4)n3CC2)CCCNC1 ZINC000072419483 EC Annotated Anodyne CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1sccc1S(N)(=O)=O)C2 ZINC000072472927 EC Annotated Anodyne Cc1nc(C(=O)NNC(=O)[C@@H](N)CO)cc2c1[nH]c1ccccc12 ZINC000073115581 EC Annotated Reactive Cc1nc(C(=O)NNC(=O)[C@@H](N)[C@@H](C)O)cc2c1[nH]c1ccccc12 ZINC000073129587 EC Annotated Reactive CO[C@H]1C=C(COC(C)=O)C(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12 ZINC000073142329 EC Annotated Mild CO[C@@H]1C=C(COC(C)=O)C(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12 ZINC000073157345 EC Annotated Mild Nc1scc2c1c(NCCO)nc1nc(NCCO)nc(N)c12 ZINC000073163337 EC Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4)cc3OC[C@@H]12 ZINC000073170000 EC Annotated Anodyne Cn1c(=O)c2c(ccn2CC(=O)Nc2ccc(F)cc2F)n(C)c1=O ZINC000073197407 EC Annotated Anodyne O=C(Cn1cnc2cccc(C(F)(F)F)c2c1=O)[C@H]1NCC[C@H]1O ZINC000073198287 EC Annotated Anodyne O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc(F)ccc3c2)[C@H]1C(=O)O ZINC000073199156 EC Annotated Anodyne O=C(Cn1cnc2cccc(C(F)(F)F)c2c1=O)[C@@H]1NCC[C@H]1O ZINC000073200506 EC Annotated Anodyne CCOC(=O)C1=C(C)C2[C@H]3C(=O)OC(=O)[C@@H]3C1(C)[C@H]1C(=O)OC(=O)[C@H]21 ZINC000073241043 EC Annotated Reactive CCOC(=O)C1=C(C)C2[C@@H]3C(=O)OC(=O)[C@@H]3C1(C)[C@H]1C(=O)OC(=O)[C@H]21 ZINC000073241045 EC Annotated Reactive CCOC(=O)C1=C(C)C2[C@H]3C(=O)OC(=O)[C@@H]3C1(C)[C@@H]1C(=O)OC(=O)[C@H]21 ZINC000073241047 EC Annotated Reactive CCOC(=O)C1=C(C)C2[C@@H]3C(=O)OC(=O)[C@H]3C1(C)[C@H]1C(=O)OC(=O)[C@H]21 ZINC000073241049 EC Annotated Reactive COc1ccc(S(=O)(=O)N2C(=O)N[C@H](OC)[C@H]2OC)c(OC)c1 ZINC000073310631 EC Annotated Anodyne COC(=O)CC[C@H](NC(=S)N/N=C(\C)c1ccc[nH]1)C(=O)OC ZINC000073351216 EC Annotated Mild COC(=O)CC[C@@H](NC(=S)N/N=C(\C)c1ccc[nH]1)C(=O)OC ZINC000073351217 EC Annotated Mild CN(C)CCN1CCN(c2nc(Br)cnc2N)CC1 ZINC000074387801 EC Annotated Anodyne O=C(COC(=O)c1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007785535 EC Annotated Reactive CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C ZINC000007998170 EC Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C ZINC000007998216 EC Annotated Anodyne CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C ZINC000007998263 EC Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)C/C=C\[C@@H](C)[C@@H](CO)OC ZINC000007998334 EC Annotated Anodyne O=C1C2=CC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]2[C@H](O)[C@@H]2O[C@H]12 ZINC000007998682 EC Annotated Mild O=C1C2=CC[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H]2[C@H](O)[C@@H]2O[C@H]12 ZINC000007998701 EC Annotated Mild O=C1C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000007998707 EC Annotated Anodyne O=C1C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000007998740 EC Annotated Anodyne CCOC(=O)CCN1C(=O)[C@@H]2[C@@H](CC[C@@H]3C(=O)C=C[C@@H](O)[C@H]32)C1=O ZINC000007998778 EC Annotated Mild Cc1nc(CN2CCCN(CC(=O)N(C)C(C)(C)C#N)CC2)no1 ZINC000075603145 EC Annotated Mild Cn1c(CN2CCC[C@@H]2c2noc(C3CC3)n2)cc(=O)n(C)c1=O ZINC000076047666 EC Annotated Anodyne Cn1c(CN2CCC[C@H]2c2noc(C3CC3)n2)cc(=O)n(C)c1=O ZINC000076047668 EC Annotated Anodyne CC(C)NC(=O)NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O ZINC000077264932 EC Annotated Anodyne CCc1cnc(CN(C)[C@@H]2CCN(CCNS(=O)(=O)CC)C2)o1 ZINC000078891920 EC Annotated Anodyne CCc1cnc(CN(C)[C@H]2CCN(CCNS(=O)(=O)CC)C2)o1 ZINC000078891925 EC Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000008221292 EC Annotated Mild C[C@@H](CN1CCOCC1)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000082039296 EC Annotated Anodyne C[C@H](CN1CCOCC1)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000082039297 EC Annotated Anodyne COc1nc2ccccc2nc1CCC(=O)NCc1cc(=O)[nH]cn1 ZINC000082039479 EC Annotated Anodyne O=C1C(Cl)=C(n2cc(F)c(=O)[nH]c2=O)C2(OCCO2)[C@H]1Cl ZINC000082052853 EC Annotated Reactive O=C1C(Cl)=C(n2cc(F)c(=O)[nH]c2=O)C2(OCCO2)[C@@H]1Cl ZINC000082052855 EC Annotated Reactive CCc1nc(C(=O)N[C@@H](C)C(=O)OCCOCCN(C)C)cs1 ZINC000082070852 EC Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)OCCOCCN(C)C)cs1 ZINC000082070853 EC Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)O)cs1 ZINC000082071043 EC Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)O)cs1 ZINC000082071044 EC Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(N)=O)cs1 ZINC000082071138 EC Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(N)=O)cs1 ZINC000082071139 EC Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OC)cs1 ZINC000082071268 EC Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OC)cs1 ZINC000082071269 EC Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)N3CCNCC3)co2)cc1 ZINC000082072111 EC Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)N2CCNCC2)co1 ZINC000082072132 EC Annotated Anodyne CCc1nc(C(=O)NCC(=O)OCCOCCN(C)C)cs1 ZINC000082072313 EC Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082073774 EC Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082073781 EC Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)OCCOCCN(C)C)cs1 ZINC000082076504 EC Annotated Anodyne CCOC(=O)/C=C1\O[C@]2(O)C[C@@H]([C@H]3CO[C@@H]2O3)[C@H]1C(=O)OCC ZINC000082076869 EC Annotated Anodyne C[C@H](/C(O)=N/CCCO)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082078759 EC Annotated Mild C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCN ZINC000082083244 EC Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCN ZINC000082083248 EC Annotated Anodyne COCC/N=C(\O)[C@@H](C)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082083338 EC Annotated Mild C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCNCC1 ZINC000082083418 EC Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCNCC1 ZINC000082083421 EC Annotated Anodyne COCC/N=C(\O)CN1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082083592 EC Annotated Mild NCCOC(=O)CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084849 EC Annotated Anodyne O=C(NCC(=O)N1CCCNCC1)c1coc(-c2cccs2)n1 ZINC000082084886 EC Annotated Anodyne CN(CC(=O)OCCN)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085702 EC Annotated Anodyne NCCN(CCO)CCOC(=O)c1coc(-c2cccs2)n1 ZINC000082086266 EC Annotated Anodyne CN(C(=O)Cn1ccc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 ZINC000082148860 EC Annotated Anodyne O=C(Cn1cnc2cccc(C(F)(F)F)c2c1=O)[C@H]1NCC[C@@H]1O ZINC000082152317 EC Annotated Anodyne Cn1c(=O)c2c(ccn2CC(=O)NCCc2ccccc2)n(C)c1=O ZINC000082154839 EC Annotated Anodyne COCCNc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203092 EC Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCOC)n2)CC1 ZINC000082203113 EC Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@@H]1CCSC1=O ZINC000082203461 EC Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@H]1CCSC1=O ZINC000082203462 EC Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@@H]3CCSC3=O)n2)C1 ZINC000082203489 EC Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@H]3CCSC3=O)n2)C1 ZINC000082203491 EC Annotated Anodyne Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1N[C@@H]1CCSC1=O ZINC000082203533 EC Annotated Anodyne Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1N[C@H]1CCSC1=O ZINC000082203535 EC Annotated Anodyne CCOC(=O)CCNc1nc(N2CCC(C(N)=O)CC2)ncc1C ZINC000082203975 EC Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)CCN2 ZINC000082204431 EC Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)CCN2 ZINC000082204435 EC Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)CCN2 ZINC000082204441 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)CCN2 ZINC000082204468 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)CCN2 ZINC000082204480 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)CCN2 ZINC000082204485 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)CCN2 ZINC000082204648 EC Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2)C1CC1 ZINC000082204846 EC Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2 ZINC000082204849 EC Annotated Mild O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2)C1CC1 ZINC000082204882 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205866 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(C)=O)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205978 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206464 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206465 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206470 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206471 EC Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206772 EC Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206774 EC Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](C)N2 ZINC000082207076 EC Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@@H](C)N2 ZINC000082207077 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@@H](C)N2 ZINC000082207082 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](C)N2 ZINC000082207084 EC Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207436 EC Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207442 EC Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)C)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207848 EC Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)C)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207849 EC Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(CCOC)c2=O)N1 ZINC000082208134 EC Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(CCOC)c2=O)N1 ZINC000082208136 EC Annotated Anodyne CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)C[C@H](CC)N2 ZINC000082208190 EC Annotated Anodyne CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)C[C@@H](CC)N2 ZINC000082208191 EC Annotated Anodyne CC[C@@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208289 EC Annotated Anodyne CC[C@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208294 EC Annotated Anodyne NCCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209567 EC Annotated Anodyne NCCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209572 EC Annotated Anodyne C=CCn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209883 EC Annotated Mild C=CCn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209884 EC Annotated Mild COCCn1c(=O)c(NC(C)=O)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210366 EC Annotated Anodyne COCCn1c(=O)c(NC(C)=O)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210369 EC Annotated Anodyne C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(CCN)c(=O)n21 ZINC000082211101 EC Annotated Anodyne C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(CCN)c(=O)n21 ZINC000082211104 EC Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(CCN)c(=O)n21 ZINC000082211111 EC Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(CCN)c(=O)n21 ZINC000082211113 EC Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(CCN)c(=O)n21 ZINC000082211124 EC Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(CCN)c(=O)n21 ZINC000082211125 EC Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](C)CN3)c1 ZINC000082211126 EC Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](C)CN3)c1 ZINC000082211128 EC Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211183 EC Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211185 EC Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211193 EC Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211196 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211237 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211239 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211261 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211263 EC Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](C)CN2 ZINC000082211612 EC Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](C)CN2 ZINC000082211616 EC Annotated Anodyne C[C@@H]1CNc2c(NCC3CC3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082211622 EC Annotated Anodyne C[C@H]1CNc2c(NCC3CC3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082211625 EC Annotated Anodyne C[C@@H]1CNc2c(NCC3CC3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082211734 EC Annotated Anodyne C[C@H]1CNc2c(NCC3CC3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082211737 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212338 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212339 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](C)CN2 ZINC000082212341 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212343 EC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)[C@H](C)CN2 ZINC000082212348 EC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)[C@@H](C)CN2 ZINC000082212349 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212362 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212365 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](C)CN2 ZINC000082212437 EC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212440 EC Annotated Anodyne C[C@@H]1CNc2c(NC(=O)C3CC3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212526 EC Annotated Anodyne C[C@H]1CNc2c(NC(=O)C3CC3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212529 EC Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](C)CN2 ZINC000082212531 EC Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](C)CN2 ZINC000082212535 EC Annotated Mild C[C@@H]1CNc2c(NC(=O)CN)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212634 EC Annotated Anodyne C[C@H]1CNc2c(NC(=O)CN)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212636 EC Annotated Anodyne CCOC(=O)[C@H](C)Nc1nc(N2CC[C@H](NC(C)=O)C2)ncc1C ZINC000082212935 EC Annotated Anodyne CCOC(=O)[C@H](C)Nc1nc(N2CC[C@@H](NC(C)=O)C2)ncc1C ZINC000082212936 EC Annotated Anodyne CCOC(=O)CCNc1nc(N2CC[C@H](NC(C)=O)C2)ncc1C ZINC000082212937 EC Annotated Anodyne CCOC(=O)CCNc1nc(N2CC[C@@H](NC(C)=O)C2)ncc1C ZINC000082212938 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082224142 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224167 EC Annotated Anodyne COCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224169 EC Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@@H](C(C)C)N2 ZINC000082224176 EC Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@H](C(C)C)N2 ZINC000082224177 EC Annotated Mild CCOC(=O)Cc1nc2nc(N3CCC[C@H](O)C3)ccc2[nH]c1=O ZINC000082231288 EC Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@@H](O)C3)ccc2[nH]c1=O ZINC000082231289 EC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@H](O)C3)ccc2[nH]c1=O ZINC000082231303 EC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@@H](O)C3)ccc2[nH]c1=O ZINC000082231304 EC Annotated Anodyne CCOC(=O)Cc1nc2nc(N(CCO)C(C)C)ccc2[nH]c1=O ZINC000082231410 EC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@@H]3CO)ccc2[nH]c1=O ZINC000082231425 EC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@H]3CO)ccc2[nH]c1=O ZINC000082231426 EC Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@H](CO)C3)ccc2[nH]c1=O ZINC000082231524 EC Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@@H](CO)C3)ccc2[nH]c1=O ZINC000082231525 EC Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC(O)CC3)ccc2[nH]c1=O ZINC000082231526 EC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCOCC3)ccc2[nH]c1=O ZINC000082231535 EC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC(O)CC3)ccc2[nH]c1=O ZINC000082232178 EC Annotated Anodyne CNC(=O)Cn1ccs/c1=N\S(=O)(=O)c1ccc(N)cc1 ZINC000083881850 EC Annotated Anodyne Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3nncs3)C2)o1 ZINC000084258776 EC Annotated Anodyne Cc1cnc(CN(C)[C@H]2CCN(CC(=O)Nc3nncs3)C2)o1 ZINC000084258780 EC Annotated Anodyne CCCCc1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O ZINC000084587011 EC Annotated Anodyne CC[C@@H](C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O ZINC000084587018 EC Annotated Anodyne CC[C@H](C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O ZINC000084587019 EC Annotated Anodyne COC(=O)[C@@]1(O)c2c(oc3cccc(O)c3c2=O)S[C@@H](C)[C@H]1O ZINC000084614598 EC Annotated Anodyne O=C(O)C(=O)N[C@@H](CSSc1ccc(C(=O)O)cc1)C(=O)O ZINC000084651881 EC Annotated Reactive O=C(O)C(=O)N[C@@H](CSSc1ccc([N+](=O)[O-])cc1)C(=O)O ZINC000084654105 EC Annotated Reactive N=c1oc2ccc(Br)cc2cc1C(=O)NC[C@H](O)CO ZINC000084668873 EC Annotated Anodyne N=c1oc2ccc(Br)cc2cc1C(=O)NC[C@@H](O)CO ZINC000084668874 EC Annotated Anodyne O=C(O)C(=O)N[C@@H](CSSc1cccc([N+](=O)[O-])c1)C(=O)O ZINC000084670612 EC Annotated Reactive Cc1ccc(S(=O)(=O)NCCCn2cnc([N+](=O)[O-])n2)cc1 ZINC000084689584 EC Annotated Bother Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 ZINC000084690183 EC Annotated Anodyne O=[N+]([O-])c1ncn(CCCNS(=O)(=O)Cc2ccccc2)n1 ZINC000084690452 EC Annotated Bother CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1[C@@H](O)NC2=O ZINC000084690979 EC Annotated Anodyne CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1[C@H](O)NC2=O ZINC000084690980 EC Annotated Anodyne NNC(=O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084725028 EC Annotated Reactive NNC(=O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084725032 EC Annotated Reactive O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(CCO)CC1 ZINC000084741180 EC Annotated Anodyne O=C(O)C(=O)N[C@@H](CSSc1ccccc1C(=O)O)C(=O)O ZINC000084758414 EC Annotated Reactive O=C(O)C(=O)N[C@@H](CSSc1cccc(C(=O)O)c1)C(=O)O ZINC000084758534 EC Annotated Reactive C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(C[C@H](O)CO)c2n1 ZINC000084758659 EC Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(C[C@@H](O)CO)c2n1 ZINC000084758661 EC Annotated Anodyne COn1c(O)nc2cc(C(F)(F)F)c(-n3cnnc3)cc2c1=O ZINC000084759467 EC Annotated Anodyne COCCNC(=O)c1cnc2sc(N3CCCCC3)nn2c1=O ZINC000008602951 EC Annotated Anodyne CN(C)c1ccc(C=NNc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 ZINC000008616096 EC Annotated Anodyne COc1ccc(C=NNc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 ZINC000008616108 EC Annotated Anodyne COC(=O)N[C@H](c1ccc2c(c1)OCO2)C(C(=O)OC)C(=O)OC ZINC000008860554 EC Annotated Anodyne COC(=O)N[C@@H](c1ccc2c(c1)OCO2)C(C(=O)OC)C(=O)OC ZINC000008860555 EC Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(OC)c(O)c(C(O)O)c1C2=O ZINC000085486910 EC Annotated Clean in-vitro biogenic CC[C@H]1N[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@@H]2[C@@H]1[C@H]3O ZINC000085508615 EC Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@]1(C)[C@@H]2CC[C@@H](C)[C@]13C[C@](O)(C=O)C(C(=O)O)=C3C2 ZINC000085548969 EC Annotated Mild in-vitro biogenic C=C(C)[C@H]1CC[C@@](C)(O)[C@H]2C[C@@H](O)[C@@](O)(CCNC(=N)NC)[C@H]2C1 ZINC000085549790 EC Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]2(C)[C@H]1C)O[C@]3(C)C(N)=O ZINC000085549950 EC Annotated Mild CNC(=O)/C=C/C1=CN2C(=O)c3ccc(C)c(O)c3N[C@H](O)[C@@H]2C1 ZINC000085551477 EC Annotated Anodyne C=C(C)C#C[C@]12O[C@H]1[C@@H]1OC(C)(C)[C@H](OC(C)=O)C[C@@]13O[C@H]3C2=O ZINC000085552417 EC Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@]2(C)C(=O)O[C@]31C=C[C@H]2O ZINC000085800228 EC Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@]2(C)C(=O)O[C@]31C=C[C@@H]2O ZINC000085800230 EC Annotated Mild in-man C[C@]1(O)C(=O)c2c(O)c(C(=O)O)cc(O)c2C2=C1C(=O)C=CC2=O ZINC000085854127 EC Annotated Mild in-man endogenous C[C@@]1(O)C(=O)c2c(O)c(C(=O)O)cc(O)c2C2=C1C(=O)C=CC2=O ZINC000085854134 EC Annotated Mild in-man endogenous C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(O)CO)[C@@H]23 ZINC000085856451 EC Annotated Mild CO/C(S)=N\Cc1ccc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000085877521 EC Annotated Mild in-man endogenous CO/C(S)=N\Cc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000085877522 EC Annotated Mild in-man CO/C(S)=N\Cc1ccc(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000085877528 EC Annotated Mild in-man CO/C(S)=N\Cc1ccc(O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000085877532 EC Annotated Mild in-man O=c1ccc2cc3ccoc3c(O[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000086004345 EC Annotated Anodyne in-man O=c1ccc2cc3ccoc3c(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000086004348 EC Annotated Anodyne in-man C[C@]1(O)C(=O)C2=C(C3=C(O)c4cccc(O)c4C(=O)C3=C2)[C@@H](O)[C@H]1O ZINC000086053220 EC Annotated Mild CCCCNC(=O)[C@H](CS)NC(=O)/C(=N\OC)c1ccco1 ZINC000087528420 EC Annotated Mild in-vitro C=C(C)CN1C(=O)[C@H](CO)S/C1=N\N=C1/SCC(=O)N1C ZINC000087613165 EC Annotated Mild C=C(C)CN1C(=O)[C@@H](CO)S/C1=N\N=C1/SCC(=O)N1C ZINC000087613166 EC Annotated Mild CS[C@@H]1[C@@H](NCc2ccc(Br)cc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000087722253 EC Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N\N=C1/SCC(=O)N1C ZINC000089469795 EC Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N\N=C1/SCC(=O)N1C ZINC000089469798 EC Annotated Mild COc1nccnc1N1CCC2(CC1)[C@@H](OCCN(C)C)C[C@H]2O ZINC000091486653 EC Annotated Anodyne CN(C)CCN(C)C[C@@H]1CN(C(=O)NC2CCCC2)C[C@@H]1CO ZINC000091746282 EC Annotated Anodyne CN1CCCN(C[C@H]2C[C@H](CO)CN(Cc3cccnc3N)C2)CC1 ZINC000092066206 EC Annotated Anodyne O=C1[C@@H](O)[C@](O)(c2ccccc2)[C@H]([C@@H](O)c2ccccc2)N1CO ZINC000095099418 EC Annotated Anodyne in-vitro biogenic O=C1[C@@H](O)[C@](O)(c2ccccc2)[C@H]([C@H](O)c2ccccc2)N1CO ZINC000095099419 EC Annotated Anodyne in-vitro biogenic CN1C(=O)[C@@H](O)[C@](O)(c2ccccc2)[C@@H]1[C@H](O)c1cccc(O)c1 ZINC000095099422 EC Annotated Anodyne in-vitro biogenic CN1C(=O)[C@@H](O)[C@](O)(c2ccccc2)[C@@H]1[C@@H](O)c1cccc(O)c1 ZINC000095099423 EC Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)OCCCn2ccc(c2)COC(=O)[C@](C)(O)[C@]1(C)O ZINC000095099424 EC Annotated Anodyne in-vitro biogenic Cc1ccc(N2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)nn1 ZINC000095373906 EC Annotated Anodyne C[C@@](CCc1cn(-c2ccccc2)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095552860 EC Annotated Bother C[C@](CCc1cn(-c2ccccc2)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095552861 EC Annotated Bother C[C@@](CCn1cc(-c2ccccc2)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095556040 EC Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)[N+](C)(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000095558485 EC Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)[N+](C)(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000095558486 EC Annotated Bother CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@@H]1n1ccc(=O)[nH]c1=O ZINC000095558981 EC Annotated Anodyne O=C(Cn1cnc2c(N3CCCCC3)ncnc21)NCCO[N+](=O)[O-] ZINC000095559790 EC Annotated Anodyne O=C(NCCO[N+](=O)[O-])c1nc2c(N3CCCCC3)ncnc2[nH]1 ZINC000095559849 EC Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@H]1n1ccc(=O)[nH]c1=O ZINC000095559918 EC Annotated Anodyne O=S1(=O)C[C@H](N2CCOCC2)[C@@H](COCc2ccccc2)N1 ZINC000095569554 EC Annotated Anodyne CC(C)NC(=O)[C@]1(C)CSCC(=O)N1CCCN1CCOCC1 ZINC000095569994 EC Annotated Anodyne CC(C)NC(=O)[C@@]1(C)CSCC(=O)N1CCCN1CCOCC1 ZINC000095569995 EC Annotated Anodyne O=S1(=O)C[C@@H](N2CCC[C@@H]2CO)[C@H](COCc2ccccc2)N1 ZINC000095570175 EC Annotated Anodyne COC(=O)C[C@@H]1C=C[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](CO)O1 ZINC000095570775 EC Annotated Anodyne CN1CCN([C@@H]2CS(=O)(=O)N[C@H]2COCc2ccccc2)CC1 ZINC000095571113 EC Annotated Anodyne CC(C)N/[N+]([O-])=N/OCCS(=O)(=O)NOCc1ccccc1 ZINC000095578690 EC Annotated Clean Cc1ccn2c(=O)c(NC(=O)NCCN3CCOCC3)cnc2c1 ZINC000095579533 EC Annotated Anodyne CN(C(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12)C1CCOCC1 ZINC000095579658 EC Annotated Anodyne C=C(C)[C@@H]1CC(=O)CC2=C(C1)[C@]1(O)C(=O)O[C@@H]3C[C@](C)(O)[C@H](C2=O)[C@@H]31 ZINC000095586024 EC Annotated Mild c1cncc(CNCCN2CCNCc3cccc(n3)CNCC2)c1 ZINC000095586625 EC Annotated Anodyne CC(=O)OCC1=C2CC[C@](C)(O)[C@H](O)[C@H]2O[C@@]12OC(C)(C)CC2=O ZINC000095590638 EC Annotated Anodyne CN(C)CCn1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12 ZINC000095591907 EC Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@H](N1CCCNCC1)C(=O)N2 ZINC000095598947 EC Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@@H](N1CCCNCC1)C(=O)N2 ZINC000095598948 EC Annotated Anodyne CN1CCN([C@H]2CS(=O)(=O)N[C@@H]2COCc2ccccc2)CC1 ZINC000095599105 EC Annotated Anodyne O=S1(=O)C[C@H](N2CCC[C@@H]2CO)[C@@H](COCc2ccccc2)N1 ZINC000095599564 EC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](CCN)O[C@H]2CO)c1 ZINC000095600680 EC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CC2)O1 ZINC000095601332 EC Annotated Anodyne O=C1c2ccc(N3CCNCC3)cc2-n2c1nc1ccncc1c2=O ZINC000095602492 EC Annotated Anodyne NC(=O)c1cnn2c1n[n+]([O-])c1ccc(OCc3ccncc3)cc12 ZINC000095602611 EC Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@H](N(C)C)CS3(=O)=O)nn2)cc1 ZINC000095604047 EC Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@@H](N(C)C)CS3(=O)=O)nn2)cc1 ZINC000095604048 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095605383 EC Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CC(O)C[C@H]3C2)cc1 ZINC000095617667 EC Annotated Anodyne in-man endogenous Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CC(O)C[C@@H]3C2)cc1 ZINC000095617668 EC Annotated Anodyne in-man endogenous Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@@H]3CC(O)C[C@H]3C2)cc1 ZINC000095617669 EC Annotated Anodyne in-man endogenous Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1 ZINC000095617670 EC Annotated Anodyne in-man endogenous Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000095617671 EC Annotated Anodyne in-man N#C[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 ZINC000095618855 EC Annotated Mild in-man O=C(CC[C@@H](O)Cc1ccc(O)c(O)c1)OCOS(=O)(=O)O ZINC000095626074 EC Annotated Clean in-man O=C(CC[C@H](O)Cc1ccc(O)c(O)c1)OCOS(=O)(=O)O ZINC000095626075 EC Annotated Clean in-man O=C1CC[C@@H](Cc2cc(O)c(O)c(OCOS(=O)(=O)O)c2)O1 ZINC000095626139 EC Annotated Clean in-man O=C1CC[C@H](Cc2cc(O)c(O)c(OCOS(=O)(=O)O)c2)O1 ZINC000095626140 EC Annotated Clean in-man C[C@@H]1CN(C)C(=O)c2cccc(N)c2O[C@H]1CN(C)S(C)(=O)=O ZINC000095661003 EC Annotated Anodyne C[C@H]1CN(C)C(=O)c2cccnc2O[C@H]1CN(C)S(C)(=O)=O ZINC000095661063 EC Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2ccccc2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095661209 EC Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cccnc2O[C@H]1CN(C)S(C)(=O)=O ZINC000095661333 EC Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2ccccc2O[C@H]1CN(C)S(C)(=O)=O ZINC000095661422 EC Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2ccccc2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095661652 EC Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cccnc2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095661705 EC Annotated Anodyne NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095661878 EC Annotated Anodyne NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095662012 EC Annotated Anodyne CNC[C@@H]1Oc2c(NS(C)(=O)=O)cccc2C(=O)N(C)C[C@H]1C ZINC000095662061 EC Annotated Anodyne C[C@H]1CN(C)C(=O)c2cccc(N)c2O[C@H]1CN(C)S(C)(=O)=O ZINC000095662122 EC Annotated Anodyne C[C@H]1CN(C)C(=O)c2cccnc2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095662189 EC Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2ccccc2O[C@H]1CN(C)S(C)(=O)=O ZINC000095662675 EC Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cccc(N)c2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095662704 EC Annotated Anodyne NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095663167 EC Annotated Anodyne CNC[C@H]1Oc2c(NS(C)(=O)=O)cccc2C(=O)N(C)C[C@H]1C ZINC000095663219 EC Annotated Anodyne CNC[C@H]1Oc2c(NS(C)(=O)=O)cccc2C(=O)N(C)C[C@@H]1C ZINC000095663412 EC Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(CC1CC1)C2 ZINC000095663766 EC Annotated Anodyne CNC[C@@H]1Oc2c(NS(C)(=O)=O)cccc2C(=O)N(C)C[C@@H]1C ZINC000095663864 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)O)O[C@H]2CO)cc1 ZINC000095675143 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)O)O[C@@H]2CO)cc1 ZINC000095675144 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO)cc1 ZINC000095675145 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO)cc1 ZINC000095675146 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)O)O[C@@H]2CO)cc1 ZINC000095675147 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)O)O[C@H]2CO)cc1 ZINC000095675148 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO)cc1 ZINC000095675149 EC Annotated Anodyne CCS(=O)(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675247 EC Annotated Anodyne CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675248 EC Annotated Anodyne CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675249 EC Annotated Anodyne CCS(=O)(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675250 EC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095675774 EC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095675775 EC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095675776 EC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095675777 EC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095675778 EC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095675779 EC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095675780 EC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095675781 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)O)O[C@H]2CO)cc1 ZINC000095675900 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)O)O[C@@H]2CO)cc1 ZINC000095675901 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)O)O[C@H]2CO)cc1 ZINC000095675902 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)O)O[C@@H]2CO)cc1 ZINC000095675903 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)O)O[C@H]2CO)cc1 ZINC000095675904 EC Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)O)O[C@@H]2CO)cc1 ZINC000095675905 EC Annotated Anodyne NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095676067 EC Annotated Anodyne NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CO)O1 ZINC000095676068 EC Annotated Anodyne NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095676069 EC Annotated Anodyne NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1 ZINC000095676070 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095676157 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095676158 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095676159 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095676160 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095676161 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095676162 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095676163 EC Annotated Anodyne COCC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095676284 EC Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CC(=O)NC2CCC2)O[C@H]1CO ZINC000095676367 EC Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CC(=O)NC2CCC2)O[C@@H]1CO ZINC000095676368 EC Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CC(=O)NC2CCC2)O[C@H]1CO ZINC000095676369 EC Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)NC2CCC2)O[C@@H]1CO ZINC000095676370 EC Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)NC2CCC2)O[C@H]1CO ZINC000095676371 EC Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CC(=O)NC2CCC2)O[C@@H]1CO ZINC000095676372 EC Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CC(=O)NC2CCC2)O[C@@H]1CO ZINC000095676373 EC Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CC(=O)NC2CCC2)O[C@H]1CO ZINC000095676374 EC Annotated Anodyne COCC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095676808 EC Annotated Anodyne COCC(=O)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095676810 EC Annotated Anodyne COCC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095676812 EC Annotated Anodyne COCC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095676814 EC Annotated Anodyne COCC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095676816 EC Annotated Anodyne COCC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095676818 EC Annotated Anodyne COCC(=O)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095676821 EC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CC1 ZINC000095677520 EC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CC1 ZINC000095677521 EC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CC1 ZINC000095677522 EC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CC1 ZINC000095677523 EC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CC1 ZINC000095677524 EC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CC1 ZINC000095677525 EC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CC1 ZINC000095677526 EC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CC1 ZINC000095677528 EC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCN)O[C@H]2CO)c1 ZINC000095677939 EC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CCN)O[C@@H]2CO)c1 ZINC000095677940 EC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CCN)O[C@H]2CO)c1 ZINC000095677941 EC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2CC[C@H](CCN)O[C@@H]2CO)c1 ZINC000095677942 EC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](CCN)O[C@@H]2CO)c1 ZINC000095677943 EC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2CC[C@H](CCN)O[C@H]2CO)c1 ZINC000095677944 EC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCN)O[C@@H]2CO)c1 ZINC000095677945 EC Annotated Anodyne CCS(=O)(=O)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677946 EC Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677947 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095678186 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095678187 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095678188 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095678189 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095678190 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095678191 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095678192 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095678193 EC Annotated Anodyne CNC[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699121 EC Annotated Anodyne CNC[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699143 EC Annotated Anodyne NS(=O)(=O)c1cncc(OC2CC2)c1I ZINC000095712813 EC Annotated Anodyne NS(=O)(=O)c1ccc(OC2CC2)c(I)n1 ZINC000095719803 EC Annotated Anodyne NS(=O)(=O)c1nccc(OC2CC2)c1I ZINC000095723111 EC Annotated Anodyne NS(=O)(=O)c1ncc(OC2CC2)cc1I ZINC000095734474 EC Annotated Anodyne NS(=O)(=O)[C@@H]1N=CC=C(I)[C@@H]1OC1CC1 ZINC000095734519 EC Annotated Anodyne NS(=O)(=O)[C@@H]1N=CC=C(I)[C@H]1OC1CC1 ZINC000095734521 EC Annotated Anodyne NS(=O)(=O)[C@H]1N=CC=C(I)[C@@H]1OC1CC1 ZINC000095734522 EC Annotated Anodyne NS(=O)(=O)[C@H]1N=CC=C(I)[C@H]1OC1CC1 ZINC000095734524 EC Annotated Anodyne NS(=O)(=O)c1ncc(I)cc1OC1CC1 ZINC000095734530 EC Annotated Anodyne NS(=O)(=O)[C@@H]1C=NC=C(I)[C@@H]1OC1CC1 ZINC000095734534 EC Annotated Anodyne NS(=O)(=O)[C@@H]1C=NC=C(I)[C@H]1OC1CC1 ZINC000095734536 EC Annotated Anodyne NS(=O)(=O)[C@H]1C=NC=C(I)[C@@H]1OC1CC1 ZINC000095734537 EC Annotated Anodyne NS(=O)(=O)[C@H]1C=NC=C(I)[C@H]1OC1CC1 ZINC000095734539 EC Annotated Anodyne NS(=O)(=O)c1cnc(I)cc1OC1CC1 ZINC000095734548 EC Annotated Anodyne NS(=O)(=O)[C@@H]1C=CN=C(I)[C@@H]1OC1CC1 ZINC000095734550 EC Annotated Anodyne NS(=O)(=O)[C@@H]1C=CN=C(I)[C@H]1OC1CC1 ZINC000095734551 EC Annotated Anodyne NS(=O)(=O)[C@H]1C=CN=C(I)[C@@H]1OC1CC1 ZINC000095734553 EC Annotated Anodyne NS(=O)(=O)[C@H]1C=CN=C(I)[C@H]1OC1CC1 ZINC000095734556 EC Annotated Anodyne NS(=O)(=O)c1cc(I)c(OC2CC2)cn1 ZINC000095734559 EC Annotated Anodyne NS(=O)(=O)c1cc(OC2CC2)cc(I)n1 ZINC000095734565 EC Annotated Anodyne NS(=O)(=O)c1nc(I)ccc1OC1CC1 ZINC000095734592 EC Annotated Anodyne NS(=O)(=O)c1cc(OC2CC2)c(I)cn1 ZINC000095734647 EC Annotated Anodyne NS(=O)(=O)[C@H]1C(I)=CN=C[C@H]1OC1CC1 ZINC000095734651 EC Annotated Anodyne NS(=O)(=O)[C@H]1C(I)=CN=C[C@@H]1OC1CC1 ZINC000095734653 EC Annotated Anodyne NS(=O)(=O)[C@@H]1C(I)=CN=C[C@H]1OC1CC1 ZINC000095734655 EC Annotated Anodyne NS(=O)(=O)[C@@H]1C(I)=CN=C[C@@H]1OC1CC1 ZINC000095734657 EC Annotated Anodyne NS(=O)(=O)c1cnc(I)c(OC2CC2)c1 ZINC000095734659 EC Annotated Anodyne NS(=O)(=O)c1cc(I)ncc1OC1CC1 ZINC000095734662 EC Annotated Anodyne NS(=O)(=O)c1cc(OC2CC2)cnc1I ZINC000095734668 EC Annotated Anodyne NS(=O)(=O)[C@H]1C(I)=NC=C[C@H]1OC1CC1 ZINC000095734672 EC Annotated Anodyne NS(=O)(=O)[C@H]1C(I)=NC=C[C@@H]1OC1CC1 ZINC000095734674 EC Annotated Anodyne NS(=O)(=O)[C@@H]1C(I)=NC=C[C@H]1OC1CC1 ZINC000095734675 EC Annotated Anodyne NS(=O)(=O)[C@@H]1C(I)=NC=C[C@@H]1OC1CC1 ZINC000095734677 EC Annotated Anodyne Cc1cncc2cccc(S(=O)(=O)N[C@H]3CN[C@H](CON)C3)c12 ZINC000095755430 EC Annotated Anodyne COc1ccc(-c2cn(CC(=O)N3CCN(C)CC3)nn2)cc1OC ZINC000095783864 EC Annotated Anodyne COCC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000095783895 EC Annotated Anodyne CC(=O)Nc1ccccc1-c1cn(CC(=O)N2CCOCC2)nn1 ZINC000095784864 EC Annotated Anodyne CS(=O)(=O)OCCCCCCNCCCOS(C)(=O)=O ZINC000095785105 EC Annotated Mild CCS(=O)(=O)OCCCCCCNCCOS(=O)(=O)CC ZINC000095785114 EC Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(C)=O)C1 ZINC000095793759 EC Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(C)=O)C1 ZINC000095793761 EC Annotated Anodyne CCCCS(=O)(=O)OCCNCCOS(=O)(=O)CCCC ZINC000095794003 EC Annotated Mild O=C(O)C[C@@H]1CC[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 ZINC000095794250 EC Annotated Anodyne O=C(O)C[C@@H]1CC[C@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1 ZINC000095794476 EC Annotated Anodyne O=C(O)C[C@H]1C=C[C@@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 ZINC000095794609 EC Annotated Anodyne O=C(O)C[C@H]1CC[C@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1 ZINC000095794660 EC Annotated Anodyne O=C(O)C[C@H]1C=C[C@@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1 ZINC000095794888 EC Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095794891 EC Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095794893 EC Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095794895 EC Annotated Anodyne O=C1CNC[C@H]2[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H](CO)N12 ZINC000095795176 EC Annotated Mild O=C1CNC[C@@H]2[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H](CO)N12 ZINC000095795177 EC Annotated Mild O=C1CNC[C@@H]2[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H](CO)N12 ZINC000095795211 EC Annotated Mild O=C1CNC[C@@H]2[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H](CO)N12 ZINC000095795213 EC Annotated Mild O=C(O)C[C@@H]1CC[C@@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 ZINC000095796840 EC Annotated Anodyne O=C(O)C[C@@H]1C=C[C@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1 ZINC000095796852 EC Annotated Anodyne O=C(O)C[C@H]1CC[C@@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1 ZINC000095796864 EC Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)NC(C)C)C[C@@H]21 ZINC000095796930 EC Annotated Anodyne O=C(O)C[C@@H]1CC[C@@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1 ZINC000095797140 EC Annotated Anodyne O=C(O)C[C@@H]1C=C[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 ZINC000095797179 EC Annotated Anodyne O=C(O)C[C@H]1C=C[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 ZINC000095797220 EC Annotated Anodyne CCCNC(=O)NC[C@@H]1CC[C@H]2[C@H](CN2C(=O)C2CCOCC2)O1 ZINC000095797791 EC Annotated Anodyne Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)c1O ZINC000095809690 EC Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/C[C@H](O)[C@H](O)[C@@H](C)O ZINC000095809801 EC Annotated Reactive CNC[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095810127 EC Annotated Anodyne CNC[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095810128 EC Annotated Anodyne CNC[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095818609 EC Annotated Anodyne CNC[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095837376 EC Annotated Anodyne CNC[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095846957 EC Annotated Anodyne CNC[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095854514 EC Annotated Anodyne CNC[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095854515 EC Annotated Anodyne CNC[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095856071 EC Annotated Anodyne CNC[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095856648 EC Annotated Anodyne CNC[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095857450 EC Annotated Anodyne CNC[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095859759 EC Annotated Anodyne CNC[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095859761 EC Annotated Anodyne CNC[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095860615 EC Annotated Anodyne O=C(O)C[C@H]1CC[C@@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 ZINC000095864470 EC Annotated Anodyne O=C(O)C[C@@H]1C=C[C@@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1 ZINC000095866832 EC Annotated Anodyne O=C(O)C[C@H]1CC[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1 ZINC000095866905 EC Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCC1 ZINC000095879142 EC Annotated Anodyne COC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 ZINC000095879143 EC Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2 ZINC000095880724 EC Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2N[C@@H](Cn3c2cccc3=O)[C@@H]1CO ZINC000095880725 EC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1C ZINC000095881184 EC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1C ZINC000095881185 EC Annotated Anodyne COC(=O)[C@@H]1N[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095881278 EC Annotated Anodyne COC(=O)[C@H]1N[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095881279 EC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N[C@@H](C(=O)NC2CCC2)[C@@H]1CO ZINC000095884519 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CC2)O1 ZINC000095884677 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CC2)O1 ZINC000095884678 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CC2)O1 ZINC000095884679 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CC2)O1 ZINC000095884680 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CC2)O1 ZINC000095884681 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CC2)O1 ZINC000095884682 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CC2)O1 ZINC000095884683 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CC2)O1 ZINC000095884684 EC Annotated Anodyne CN1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095884743 EC Annotated Anodyne CN1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095884744 EC Annotated Anodyne CN1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095884745 EC Annotated Anodyne CN1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095884746 EC Annotated Anodyne CN1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095884747 EC Annotated Anodyne CN1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095884748 EC Annotated Anodyne CN1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095884749 EC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CC2)O1 ZINC000095884796 EC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CC2)O1 ZINC000095884797 EC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CC2)O1 ZINC000095884798 EC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CC2)O1 ZINC000095884799 EC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CC2)O1 ZINC000095884800 EC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CC2)O1 ZINC000095884801 EC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CC2)O1 ZINC000095884802 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CC2)O1 ZINC000095884838 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CC2)O1 ZINC000095884839 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CC2)O1 ZINC000095884840 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CC2)O1 ZINC000095884841 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CC2)O1 ZINC000095884842 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CC2)O1 ZINC000095884843 EC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CC2)O1 ZINC000095884844 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CC2)O1 ZINC000095884845 EC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)CC)O1 ZINC000095885823 EC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)CC)O1 ZINC000095885824 EC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)CC)O1 ZINC000095885825 EC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)CC)O1 ZINC000095885826 EC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)CC)O1 ZINC000095885827 EC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)CC)O1 ZINC000095885828 EC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)CC)O1 ZINC000095885829 EC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)CC)O1 ZINC000095885830 EC Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095886065 EC Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095886066 EC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095886067 EC Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095886068 EC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095886069 EC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095886070 EC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095886071 EC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCCc1ccccc1 ZINC000095886161 EC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCc1ccccc1 ZINC000095886162 EC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCc1ccccc1 ZINC000095886163 EC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCCc1ccccc1 ZINC000095886164 EC Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCc1ccccc1 ZINC000095886165 EC Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCCc1ccccc1 ZINC000095886166 EC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCc1ccccc1 ZINC000095886167 EC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCCc1ccccc1 ZINC000095886168 EC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)OC)CC[C@H]21 ZINC000095886407 EC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)OC)CC[C@@H]21 ZINC000095886408 EC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)OC)CC[C@@H]21 ZINC000095886409 EC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)OC)CC[C@H]21 ZINC000095886410 EC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)OC)CC[C@H]21 ZINC000095886411 EC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)OC)CC[C@H]21 ZINC000095886412 EC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)OC)CC[C@@H]21 ZINC000095886413 EC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)OC)CC[C@@H]21 ZINC000095886414 EC Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)CC)O1 ZINC000095886475 EC Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)CC)O1 ZINC000095886476 EC Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)CC)O1 ZINC000095886477 EC Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)CC)O1 ZINC000095886478 EC Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)CC)O1 ZINC000095886479 EC Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)CC)O1 ZINC000095886480 EC Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)CC)O1 ZINC000095886481 EC Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)CC)O1 ZINC000095886482 EC Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCc1ccncc1 ZINC000095887588 EC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCc1ccncc1 ZINC000095887589 EC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCCc1ccncc1 ZINC000095887590 EC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCc1ccncc1 ZINC000095887593 EC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCCc1ccncc1 ZINC000095887595 EC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCc1ccncc1 ZINC000095887596 EC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCCc1ccncc1 ZINC000095887598 EC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095887888 EC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095887889 EC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095887890 EC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095887891 EC Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893327 EC Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893328 EC Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893329 EC Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893330 EC Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)NC(C)C ZINC000095893703 EC Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)NC(C)C ZINC000095893704 EC Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CC3)C[C@@H]21 ZINC000095894131 EC Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CC3)C[C@@H]21 ZINC000095894132 EC Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)C3CC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894133 EC Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)C3CC3)C[C@H]21 ZINC000095894134 EC Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894201 EC Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894202 EC Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894203 EC Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894204 EC Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)NC(C)C)C[C@H]21 ZINC000095894212 EC Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)NC(C)C)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894213 EC Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)NC(C)C)C[C@@H]21 ZINC000095894214 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903499 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903501 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903502 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903503 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903504 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903505 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903506 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903507 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903556 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903557 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903558 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903560 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903561 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903562 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903563 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903564 EC Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)NC2CCC2)O[C@H]1CO ZINC000095903771 EC Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@H](CC(=O)NC2CCC2)O[C@@H]1CO ZINC000095903772 EC Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)NC2CCC2)O[C@H]1CO ZINC000095903773 EC Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)NC2CCC2)O[C@@H]1CO ZINC000095903774 EC Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)NC2CCC2)O[C@H]1CO ZINC000095903775 EC Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)NC2CCC2)O[C@@H]1CO ZINC000095903776 EC Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@H](CC(=O)NC2CCC2)O[C@H]1CO ZINC000095903777 EC Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)NC2CCC2)O[C@@H]1CO ZINC000095903778 EC Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903779 EC Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903780 EC Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903782 EC Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903784 EC Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903785 EC Annotated Anodyne CCCS(=O)(=O)OCCCNCCCOS(=O)(=O)CCC ZINC000095903873 EC Annotated Mild O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095904062 EC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095904063 EC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095904065 EC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095904066 EC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095904067 EC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095904068 EC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095904069 EC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095904070 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904304 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904305 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904306 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904307 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904308 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904309 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904310 EC Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1cnccn1 ZINC000095904359 EC Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1cnccn1 ZINC000095904361 EC Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1cnccn1 ZINC000095904363 EC Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1cnccn1 ZINC000095904364 EC Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1cnccn1 ZINC000095904367 EC Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1cnccn1 ZINC000095904368 EC Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1cnccn1 ZINC000095904370 EC Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1cnccn1 ZINC000095904372 EC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO)c1ccccn1 ZINC000095904422 EC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO)c1ccccn1 ZINC000095904423 EC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO)c1ccccn1 ZINC000095904424 EC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO)c1ccccn1 ZINC000095904425 EC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO)c1ccccn1 ZINC000095904426 EC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO)c1ccccn1 ZINC000095904427 EC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO)c1ccccn1 ZINC000095904428 EC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO)c1ccccn1 ZINC000095904429 EC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO)c1ccncc1 ZINC000095904543 EC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO)c1ccncc1 ZINC000095904545 EC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO)c1ccncc1 ZINC000095904546 EC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO)c1ccncc1 ZINC000095904547 EC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO)c1ccncc1 ZINC000095904548 EC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO)c1ccncc1 ZINC000095904549 EC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO)c1ccncc1 ZINC000095904550 EC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO)c1ccncc1 ZINC000095904551 EC Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C=C[C@@H](NC(C)=O)[C@H](CO)O1 ZINC000095907158 EC Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C=C[C@H](NC(C)=O)[C@@H](CO)O1 ZINC000095907159 EC Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C=C[C@@H](NC(C)=O)[C@H](CO)O1 ZINC000095907160 EC Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C=C[C@H](NC(C)=O)[C@@H](CO)O1 ZINC000095907161 EC Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C=C[C@H](NC(C)=O)[C@H](CO)O1 ZINC000095907162 EC Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C=C[C@@H](NC(C)=O)[C@@H](CO)O1 ZINC000095907163 EC Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C=C[C@H](NC(C)=O)[C@H](CO)O1 ZINC000095907164 EC Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C=C[C@@H](NC(C)=O)[C@@H](CO)O1 ZINC000095907165 EC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095907588 EC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095907589 EC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095907590 EC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095907591 EC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095907592 EC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095907593 EC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095907594 EC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095907595 EC Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CCn2cc(CN(C)C)nn2)O[C@H]1CO ZINC000095907639 EC Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CCn2cc(CN(C)C)nn2)O[C@H]1CO ZINC000095907640 EC Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CCn2cc(CN(C)C)nn2)O[C@@H]1CO ZINC000095907641 EC Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CCn2cc(CN(C)C)nn2)O[C@@H]1CO ZINC000095907642 EC Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CCn2cc(CN(C)C)nn2)O[C@H]1CO ZINC000095907643 EC Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CCn2cc(CN(C)C)nn2)O[C@@H]1CO ZINC000095907644 EC Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CCn2cc(CN(C)C)nn2)O[C@H]1CO ZINC000095907645 EC Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CCn2cc(CN(C)C)nn2)O[C@@H]1CO ZINC000095907646 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095907680 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095907681 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095907682 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095907683 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095907684 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095907685 EC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095907686 EC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095907687 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095907918 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095907919 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095907920 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095907921 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095907922 EC Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095907923 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095907924 EC Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095907925 EC Annotated Anodyne NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095908213 EC Annotated Anodyne NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1 ZINC000095908214 EC Annotated Anodyne NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1 ZINC000095908215 EC Annotated Anodyne NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1 ZINC000095908216 EC Annotated Anodyne NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1 ZINC000095908217 EC Annotated Anodyne NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1 ZINC000095908218 EC Annotated Anodyne NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1 ZINC000095908219 EC Annotated Anodyne NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1 ZINC000095908220 EC Annotated Anodyne NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1 ZINC000095908221 EC Annotated Anodyne C[C@]12C[C@@H]3O[C@H](O1)[C@H]1[C@@]45C[C@@H](O)C[C@@]6(C)CN7[C@@H](C[C@@]1(C2)[C@@]3(O)[C@@H]74)[C@@H]56 ZINC000095911808 EC Annotated Anodyne in-vitro biogenic C=C1C[C@]23C[C@H]4[C@H]5[C@]67CC(=O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000095911890 EC Annotated Mild in-vitro biogenic C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](O)C[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000095918877 EC Annotated Mild in-vitro biogenic CO[C@@H]1c2oc(CCc3ccccc3)cc(=O)c2[C@H](O)[C@@H](O)[C@@H]1O ZINC000095919173 EC Annotated Anodyne in-vitro biogenic NC(=O)c1cc([N+](=O)[O-])c(NCCO)cc1NCc1cnc(N)nc1 ZINC000095920641 EC Annotated Bother C[C@@H](O)[C@@H](N)C1=N/C(=C\c2c[nH]c3ccccc23)C(=O)N1CCO ZINC000096006027 EC Annotated Anodyne in-vivo CN(C)[C@@H]1CCN(c2ccc3c(c2)O[C@@H]2CCN(C2)S3(=O)=O)C1 ZINC000096019142 EC Annotated Anodyne CN(C)[C@@H]1CCN(c2ccc3c(c2)O[C@H]2CCN(C2)S3(=O)=O)C1 ZINC000096019171 EC Annotated Anodyne CN(C)[C@H]1CCN(c2cccc3c2S(=O)(=O)N2CC[C@@H](C2)O3)C1 ZINC000096019174 EC Annotated Anodyne CN(C)[C@@H]1CCN(c2cccc3c2S(=O)(=O)N2CC[C@@H](C2)O3)C1 ZINC000096019175 EC Annotated Anodyne CN(C)[C@H]1CCN(c2cccc3c2S(=O)(=O)N2CC[C@H](C2)O3)C1 ZINC000096019183 EC Annotated Anodyne CN(C)[C@@H]1CCN(c2cccc3c2S(=O)(=O)N2CC[C@H](C2)O3)C1 ZINC000096019184 EC Annotated Anodyne CN(C)[C@H]1CCN(c2ccc3c(c2)O[C@@H]2CCN(C2)S3(=O)=O)C1 ZINC000096019192 EC Annotated Anodyne CN(C)[C@H]1CCN(c2ccc3c(c2)O[C@H]2CCN(C2)S3(=O)=O)C1 ZINC000096019212 EC Annotated Anodyne C#CCN1[C@H](C(=O)OC)CN(CCCCCC)CCS1(=O)=O ZINC000096020331 EC Annotated Anodyne C#CCN1C[C@@H](N(C)CCOC(=O)C[C@H]2C=CCC2)CS1(=O)=O ZINC000096020612 EC Annotated Anodyne C#CCN1C[C@@H](N(C)CCOC(=O)C[C@@H]2C=CCC2)CS1(=O)=O ZINC000096020613 EC Annotated Anodyne C#CCN1C[C@@H](N(C)CCOC(=O)c2cccs2)CS1(=O)=O ZINC000096020616 EC Annotated Anodyne C#CCN1C[C@H](N(C)CCOC(=O)c2cccs2)CS1(=O)=O ZINC000096020617 EC Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(CCCOC)nn2)S(=O)(=O)C1 ZINC000096020962 EC Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(CCCOC)nn2)S(=O)(=O)C1 ZINC000096020963 EC Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CC3CC3)CC2)CN1C1CCCC1 ZINC000096021076 EC Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CC3CC3)CC2)CN1C1CCCC1 ZINC000096021077 EC Annotated Anodyne CN(C)CCN(C)[C@@H]1CN(CCc2ccccc2)S(=O)(=O)C1 ZINC000096021082 EC Annotated Anodyne CN(C)CCN(C)[C@H]1CN(CCc2ccccc2)S(=O)(=O)C1 ZINC000096021083 EC Annotated Anodyne CN1CCN([C@@H]2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1 ZINC000096021100 EC Annotated Anodyne CN1CCN([C@H]2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1 ZINC000096021101 EC Annotated Anodyne Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)NCCC#N ZINC000096037585 EC Annotated Mild COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccnnc1 ZINC000096045358 EC Annotated Anodyne COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccnnc1 ZINC000096045359 EC Annotated Anodyne CCS(=O)(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1csc(C)n1 ZINC000096055664 EC Annotated Anodyne O=C(c1ccnnc1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096063795 EC Annotated Anodyne Cc1cccc(CN2CC[C@@H]3O[C@@H](C(=O)N4CCN(C)CC4)C[C@@H]32)n1 ZINC000096063809 EC Annotated Anodyne Cc1oncc1C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNS(C)(=O)=O)C1 ZINC000096064307 EC Annotated Anodyne CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(c3ccc(C)nn3)CC[C@@H]21 ZINC000096064408 EC Annotated Anodyne CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)NC3CC3)CC[C@@H]21 ZINC000096064412 EC Annotated Anodyne Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCOCC3)C2)no1 ZINC000096064839 EC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2COC[C@H]3CN(c4ccncn4)C[C@@H]23)CC1 ZINC000096065268 EC Annotated Anodyne Cn1cc(CN2CC[C@H]3O[C@H](C(=O)Nc4cnccn4)CC[C@H]32)cn1 ZINC000096065354 EC Annotated Anodyne CN(C)S(=O)(=O)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096065962 EC Annotated Anodyne CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2nccs2)CC3)CC1 ZINC000096066619 EC Annotated Anodyne O=c1cccnn1C[C@H]1CN(c2ncc(F)cn2)Cc2nccn2C1 ZINC000096067154 EC Annotated Anodyne O=c1cccnn1C[C@@H]1CN(c2ncc(F)cn2)Cc2nccn2C1 ZINC000096067155 EC Annotated Anodyne Cc1cnc(N2Cc3nccn3C[C@H](Cn3ncccc3=O)C2)nc1 ZINC000096067156 EC Annotated Anodyne Cc1cnc(N2Cc3nccn3C[C@@H](Cn3ncccc3=O)C2)nc1 ZINC000096067157 EC Annotated Anodyne O=C(c1ccc[nH]1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1 ZINC000096067158 EC Annotated Anodyne O=C(c1ccc[nH]1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1 ZINC000096067159 EC Annotated Anodyne CCCS(=O)(=O)N1Cc2ccnn2C[C@H](c2nc(C)no2)C1 ZINC000096067208 EC Annotated Anodyne CCCS(=O)(=O)N1Cc2ccnn2C[C@@H](c2nc(C)no2)C1 ZINC000096067209 EC Annotated Anodyne CS(=O)(=O)NCc1cncc2c1CCN(C(=O)N1CCCC1)C2 ZINC000096067418 EC Annotated Anodyne CN(C)C(=O)Cn1c2c(ccc1=O)C[C@@H](NCc1cccnc1)CC2 ZINC000096067651 EC Annotated Anodyne CN(C)C(=O)Cn1c2c(ccc1=O)C[C@H](NCc1cccnc1)CC2 ZINC000096067652 EC Annotated Anodyne CN(C)C(=O)Cn1c2c(ccc1=O)CCN(Cc1cnn(C)c1)CC2 ZINC000096067756 EC Annotated Anodyne CS(=O)(=O)N1CCc2ccc(=O)n(CCN3CCCC3)c2CC1 ZINC000096067778 EC Annotated Anodyne O=C([C@H]1CCCO1)N1CCc2ncc(CN3CCOCC3)n2CC1 ZINC000096067906 EC Annotated Anodyne COCCN1CCc2ncc(CNc3cc(N(C)C)ncn3)n2CC1 ZINC000096067945 EC Annotated Anodyne O=c1cc(Cn2cncn2)nc2n1CCCN(CCN1CCCC1)C2 ZINC000096068121 EC Annotated Anodyne O=C(NCc1cc(=O)n2c(n1)CN(C[C@@H]1CCOC1)CCC2)C1CC1 ZINC000096068135 EC Annotated Anodyne O=C(NCc1cc(=O)n2c(n1)CN(C[C@H]1CCOC1)CCC2)C1CC1 ZINC000096068136 EC Annotated Anodyne C=C1C[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000096068564 EC Annotated Mild in-man Cn1nccc1-c1nnn2c1CO[C@@H](CNCc1nccs1)C2 ZINC000096069328 EC Annotated Anodyne Cn1nccc1-c1nnn2c1CO[C@H](CNCc1nccs1)C2 ZINC000096069329 EC Annotated Anodyne Cn1nccc1-c1nnn2c1COC[C@@H](CNC1CCOCC1)C2 ZINC000096069470 EC Annotated Anodyne Cn1nccc1-c1nnn2c1COC[C@H](CNC1CCOCC1)C2 ZINC000096069471 EC Annotated Anodyne O=C(NC[C@@H]1COCc2c(-c3ccncc3)nnn2C1)[C@H]1CCCO1 ZINC000096069490 EC Annotated Anodyne O=C(NC[C@H]1COCc2c(-c3ccncc3)nnn2C1)[C@H]1CCCO1 ZINC000096069491 EC Annotated Anodyne O=S(=O)(NC[C@@H]1COCc2c(-c3ccncc3)nnn2C1)C1CC1 ZINC000096069492 EC Annotated Anodyne O=S(=O)(NC[C@H]1COCc2c(-c3ccncc3)nnn2C1)C1CC1 ZINC000096069493 EC Annotated Anodyne Cn1cc(CN2CC[C@@H](NS(C)(=O)=O)[C@@H]2Cc2cccnc2)cn1 ZINC000096070042 EC Annotated Anodyne Cc1nnc(N2CCC[C@]3(CN(Cc4nccn4C)CCO3)C2)o1 ZINC000096074909 EC Annotated Anodyne Cc1nnc(N2CCC[C@@]3(CN(Cc4nccn4C)CCO3)C2)o1 ZINC000096074910 EC Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC000096074968 EC Annotated Anodyne Cn1cc(CN2CCC[C@@]3(COCCN(Cc4c[nH]nn4)C3)C2)cn1 ZINC000096076423 EC Annotated Anodyne Cn1cc(CN2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)cn1 ZINC000096076424 EC Annotated Anodyne c1cnc(N2CCOC[C@]3(CN(Cc4cc[nH]n4)CCO3)C2)nc1 ZINC000096076699 EC Annotated Anodyne c1cnc(N2CCOC[C@@]3(CN(Cc4cc[nH]n4)CCO3)C2)nc1 ZINC000096076700 EC Annotated Anodyne COc1cc(N2C[C@H]3CN(CCN4CCCC4)C(=O)[C@H]3C2)ncn1 ZINC000096080651 EC Annotated Anodyne CN(C)C(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]1O2 ZINC000096083573 EC Annotated Anodyne CS(=O)(=O)NCc1ncn2c1CN(CCN1CCCC1)CCC2 ZINC000096084671 EC Annotated Anodyne CC(C)N(C)Cc1nnc2n1CCCN(S(=O)(=O)C1CC1)C2 ZINC000096084751 EC Annotated Anodyne CS(=O)(=O)NCc1nnc2n1CCN(Cc1cccs1)CC2 ZINC000096084969 EC Annotated Anodyne O=C(c1ccc(O)c(O)c1)[C@H](O)C[C@@]1(c2ccc(O)c(O)c2)O[C@H]1O ZINC000096085387 EC Annotated Clean in-vitro O=C(c1ccc(O)c(O)c1)[C@@H](O)C[C@@]1(c2ccc(O)c(O)c2)O[C@H]1O ZINC000096085388 EC Annotated Clean in-vitro O=C(c1ccc(O)c(O)c1)[C@H](O)C[C@]1(c2ccc(O)c(O)c2)O[C@H]1O ZINC000096085389 EC Annotated Clean in-vitro O=C(c1ccc(O)c(O)c1)[C@@H](O)C[C@]1(c2ccc(O)c(O)c2)O[C@H]1O ZINC000096085390 EC Annotated Clean in-vitro COc1c2c(cc3c1OCO3)[C@@]13CCN(C2)[C@]1(O)CC[C@H](O)[C@@H]3O ZINC000096085995 EC Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(O)N3CC[C@@]2(c2cc4c(cc2C3)OCO4)[C@H]1O ZINC000096085997 EC Annotated Anodyne CN1CCN(Cc2cnc3n2CCN(C(=O)c2ccccn2)C3)CC1 ZINC000096087569 EC Annotated Anodyne Cn1cccc1C(=O)N1CC[C@H]2[C@H](CO[C@H]2CNS(C)(=O)=O)C1 ZINC000096089014 EC Annotated Anodyne CN1CCN(Cc2cn3c(n2)CN(C(=O)N2CCCC2)CC3)CC1 ZINC000096089231 EC Annotated Anodyne CCn1nnc2c1[C@@H](COCCN(C)C)CN(c1nncs1)C2 ZINC000096089292 EC Annotated Anodyne CCn1nnc2c1[C@H](COCCN(C)C)CN(c1nncs1)C2 ZINC000096089293 EC Annotated Anodyne c1cnc(N2CCO[C@@]3(COCCN(Cc4cc[nH]n4)C3)C2)nc1 ZINC000096090296 EC Annotated Anodyne c1cnc(N2CCO[C@]3(COCCN(Cc4cc[nH]n4)C3)C2)nc1 ZINC000096090297 EC Annotated Anodyne CCN(CC)[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@@H]2CCCO[C@H]12 ZINC000096092185 EC Annotated Anodyne Cc1occc1C(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](NS(C)(=O)=O)C1 ZINC000096092236 EC Annotated Anodyne Cc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CCN2CCOCC2)nn1 ZINC000096100496 EC Annotated Anodyne CN(C)S(=O)(=O)N1CC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC000096110881 EC Annotated Anodyne Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2ncccn2)C3)n1 ZINC000096111023 EC Annotated Anodyne CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(C)O)nc21 ZINC000096168451 EC Annotated Mild CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@H](O)C3CC3)nc21 ZINC000096168453 EC Annotated Mild CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@H](O)C3CC3)nc21 ZINC000096168454 EC Annotated Mild O=C(Nc1ccccn1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000096168625 EC Annotated Mild CN(C)CCOc1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1 ZINC000096172351 EC Annotated Anodyne O=C(N[C@@H]1CN(c2ncccn2)[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000096185960 EC Annotated Anodyne O=C1CC[C@H]2[C@H](CCN2C(=O)[C@@H]2CCCO2)N1CCN1CCCC1 ZINC000096186306 EC Annotated Anodyne O=C1CC[C@H]2[C@H](CCN2C(=O)[C@H]2CCCO2)N1CCN1CCCC1 ZINC000096186307 EC Annotated Anodyne Cn1cc(-c2ncnc3c2CCN(C(=O)N2CCOCC2)CC3)cn1 ZINC000096187603 EC Annotated Anodyne CCS(=O)(=O)N1Cc2nccn2C[C@H](Cn2nc(C)nc2C)C1 ZINC000096188720 EC Annotated Anodyne CCS(=O)(=O)N1Cc2nccn2C[C@@H](Cn2nc(C)nc2C)C1 ZINC000096188721 EC Annotated Anodyne Cn1ccnc1CN1CC[C@@H](NS(C)(=O)=O)[C@@H]1Cc1cccnc1 ZINC000096200875 EC Annotated Anodyne Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2c2ncc(F)cn2)cn1 ZINC000096200957 EC Annotated Anodyne COc1ncccc1CN1CCn2c(Cn3cncn3)cnc2C1 ZINC000096201138 EC Annotated Anodyne CN(C)c1nccc(N2CCO[C@H]3CN(CC4CCOCC4)C[C@H]32)n1 ZINC000096248884 EC Annotated Anodyne CC(C)NC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(c3ncccn3)C[C@H]12 ZINC000096250943 EC Annotated Anodyne O=C1NC2(CCN(C(=O)N3CCOCC3)CC2)C[C@H]1c1cccnc1 ZINC000096261159 EC Annotated Anodyne O=C1NC2(CCN(C(=O)N3CCOCC3)CC2)C[C@@H]1c1cccnc1 ZINC000096261160 EC Annotated Anodyne CC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@@H]32)C(=O)N1C ZINC000096261423 EC Annotated Anodyne CC(C)NC(=O)N1CCN(C(=O)NC(C)C)CC2(CNC(=O)C2)C1 ZINC000096262044 EC Annotated Anodyne CC(C)CC(=O)N1CCN(C(=O)N(C)C)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096262079 EC Annotated Anodyne CC(C)CC(=O)N1CCN(C(=O)N(C)C)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096262080 EC Annotated Anodyne CC(C)NC(=O)N1CCN(C(=O)C(C)C)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096262101 EC Annotated Anodyne CC(C)NC(=O)N1CCN(C(=O)C(C)C)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096262102 EC Annotated Anodyne CC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(Cc3cccnc3)C[C@H]12 ZINC000096262200 EC Annotated Anodyne NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 ZINC000096263088 EC Annotated Anodyne NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 ZINC000096263089 EC Annotated Anodyne CC(C)CNC(=O)N1CCC2(CC1)O[C@@H](C(N)=O)Cn1ccnc12 ZINC000096263094 EC Annotated Anodyne CC(C)CNC(=O)N1CCC2(CC1)O[C@H](C(N)=O)Cn1ccnc12 ZINC000096263095 EC Annotated Anodyne CN1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CCOCC4)cn23)C1 ZINC000096267982 EC Annotated Anodyne CN(CCO)c1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 ZINC000096285201 EC Annotated Mild COc1cc(C(=O)NCCOC(=O)[C@@H](N)CCSC)ccc1O ZINC000096299872 EC Annotated Anodyne CC(=O)N1C(=O)[C@]2(C(=O)N(C(C)=O)C(N)=C2C#N)[C@@]2(C)CCCC=C12 ZINC000096336620 EC Annotated Reactive CC(=O)N1C(=O)[C@]2(C(=O)N(C(C)=O)C(N)=C2C#N)[C@]2(C)CCCC=C12 ZINC000096336622 EC Annotated Reactive CC(=O)N1C(=O)[C@@]2(C(=O)N(C(C)=O)C(N)=C2C#N)[C@@]2(C)CCCC=C12 ZINC000096336624 EC Annotated Reactive CC(=O)N1C(=O)[C@@]2(C(=O)N(C(C)=O)C(N)=C2C#N)[C@]2(C)CCCC=C12 ZINC000096336625 EC Annotated Reactive N#CC(C#N)=C(C(=O)c1ccccc1C(=O)OCCO)[C-](C#N)C#N ZINC000096336655 EC Annotated Reactive O/N=C/c1ccc[n+](COCCOC[n+]2cccc(/C=N/O)c2)c1 ZINC000096900996 EC Annotated Mild CC(=O)O[C@H]1C[C@@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H]2C=C1C(=O)O2 ZINC000096903685 EC Annotated Anodyne CC1(C)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909531 EC Annotated Anodyne CN(CCn1nnc2c(C(N)=O)ncn2c1=O)c1ccc(Cl)cc1 ZINC000096910812 EC Annotated Anodyne NC(=O)c1ncn2c(=O)n(CCNc3ccc(Cl)cc3)nnc12 ZINC000096910815 EC Annotated Anodyne O=C(Nc1ccccc1O)c1nc[nH]c1C(=O)N1CCC(O)CC1 ZINC000096910867 EC Annotated Anodyne CC(C)=CCn1c(OCC(C)(C)CN)nc2c1c(=O)n(C)c(=O)n2C ZINC000096916203 EC Annotated Anodyne COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)o2)cc1 ZINC000096923041 EC Annotated Anodyne CN1CCN(c2nc3c(c(N4CCSCC4)n2)CCNCC3)CC1 ZINC000096928121 EC Annotated Anodyne N#Cc1c(N)nc2c(C#N)c(N3CCCC3)nn2c1N1CCOCC1 ZINC000096928786 EC Annotated Mild [N-]=[N+]=N[C@H]1C[C@H](n2cnc3nc(N)nc(N4CCCC4)c32)O[C@@H]1CO ZINC000096929554 EC Annotated Clean COC(=O)[C@@]1(O)c2c(oc(-c3ccc(O)cc3)cc2=O)OC=C[C@@H]1O ZINC000096929671 EC Annotated Anodyne O=C1NC(=S)N=C(O)/C1=C/NNC(=S)Nc1ccc(F)cc1 ZINC000096930160 EC Annotated Clean N#Cc1ccc(NC(=S)NN/C=C2/C(=O)NC(=O)N=C2O)cc1 ZINC000096930167 EC Annotated Mild CCN(C)c1nc(N)nc2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c12 ZINC000096933221 EC Annotated Clean CN(c1nc(N)nc2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c12)C1CC1 ZINC000096933223 EC Annotated Clean [N-]=[N+]=N[C@H]1C[C@H](n2cnc3nc(N)nc(N4CCC4)c32)O[C@@H]1CO ZINC000096933224 EC Annotated Clean N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@]12C(=O)Nc1ccccc12 ZINC000098083897 EC Annotated Reactive N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@@]12C(=O)Nc1ccccc12 ZINC000098083898 EC Annotated Reactive Cc1c(Sc2ccccc2[N+](=O)[O-])n(OCCO)c(=O)[nH]c1=O ZINC000098084585 EC Annotated Bother C[C@@H](C(=O)O)[C@H]1Cc2c(cc3c(c2O)C(=O)N([C@H](C)C(=O)O)C3=O)O1 ZINC000098084781 EC Annotated Anodyne C[C@@H](O)[C@H](N)C1=N/C(=C/c2c[nH]c3ccccc23)C(=O)N1CC(=O)O ZINC000098208756 EC Annotated Anodyne N[C@@H](CO)C1=N/C(=C\c2c[nH]c3ccccc23)C(=O)N1CC(=O)O ZINC000098209428 EC Annotated Anodyne